CAS
91945-53-8 Purity
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91945-53-8 Purity
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![Carboxymethyl-[2-[carboxymethyl(2-chloroethyl)azaniumyl]ethyl]-(2-chloroethyl)azanium dichloride](https://resource.alfa-chemistry.com/structure/91951-74-5.gif)
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3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide
CAS
919486-92-3
Catalog Number
ACM919486923
Category
Other Products
Molecular Weight
251.177573 [g/mol]
Molecular Formula
C10H9F4NO2
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Specification
Synonyms
SureCN5621845, CTK3H3409, TL80090137, 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide, Propanamide, 3,3,3-trifluoro-N-(3-fluoro-4-methoxyphenyl)-, 919486-92-3
IUPAC Name
3,3,3-trifluoro-N-(3-fluoro-4-methoxyphenyl)propanamide
Canonical SMILES
COC1=C(C=C(C=C1)NC(=O)CC(F)(F)F)F
InChI Key
WKSIETTVFSZWKP-UHFFFAOYSA-N
Exact Mass
251.05700
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide?
The molecular formula is C10H9F4NO2.
What is the molecular weight of 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide?
The molecular weight is 251.18 g/mol.
What is the IUPAC name of 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide?
The IUPAC name is 3,3,3-trifluoro-N-(3-fluoro-4-methoxyphenyl)propanamide.
What is the InChI of 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide?
The InChI is InChI=1S/C10H9F4NO2/c1-17-8-3-2-6(4-7(8)11)15-9(16)5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What is the InChIKey of 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide?
The InChIKey is WKSIETTVFSZWKP-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide have?
It has 6 hydrogen bond acceptor counts.
What is the topological polar surface area of 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide?
The topological polar surface area is 38.3 Ų.
Is 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide considered a canonicalized compound?
Yes, it is considered canonicalized.
How many rotatable bond counts does 3,3,3-Trifluoro-N-(3-fluoro-4-methoxyphenyl)propionamide have?
It has 3 rotatable bond counts.
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