CAS
99780-98-0 Purity
96%
99780-98-0 Purity
96%
![2,4,7-Metheno-1H-cyclopenta[a]pentalen-3-amine,decahydro-,(2-alpha-,3-bta-,3a-bta-,3b-bta-,4-alpha-,6a-bta-,7-alpha-,7a-bta-,8s*)-(9ci)](https://resource.alfa-chemistry.com/structure/99782-39-5.gif)
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2-Methyl-4,4,4-trifluorobutyric acid
CAS
99783-23-0
Catalog Number
ACM99783230
Category
Other Products
Molecular Weight
156.1
Molecular Formula
C5H7F3O2
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Specification
Synonyms
4,4,4-trifluoro-2-methylbutanoic acid, 99783-23-0, SBB051084, 2-Methyl-4,4,4-trifluorobutyric acid, AC1MCQAE, 4,4,4-trifluoro-2-methyl-butanoic Acid, CTK3I6561, MolPort-001-776-090, AKOS005173391, AG-I-02492, MCULE-6748667600, 2-Methyl-4,4,4-trifluorobutanoic acid, KB-25351, FT-0612961, 4,4,4-tris(fluoranyl)-2-methyl-butanoic acid, MLS-0466781.0001, A846083, I04-4463
IUPAC Name
4,4,4-trifluoro-2-methylbutanoic acid
Canonical SMILES
CC(CC(F)(F)F)C(=O)O
InChI Key
OBUKEMPWKGDRJV-UHFFFAOYSA-N
Boiling Point
172-175ºC
Flash Point
172-175ºC
Density
1.274g/cm³
Exact Mass
156.04000
Hazard Statements
C
H-Bond Acceptor
5
H-Bond Donor
1
Packing Group
II
Safety Description
S26-S36/37/39-S45
What is the molecular formula of 2-Methyl-4,4,4-trifluorobutyric acid?
The molecular formula is C5H7F3O2.
What is the molecular weight of 2-Methyl-4,4,4-trifluorobutyric acid?
The molecular weight is 156.10 g/mol.
When was 2-Methyl-4,4,4-trifluorobutyric acid created in PubChem?
It was created on July 19, 2005.
What is the IUPAC name for 2-Methyl-4,4,4-trifluorobutyric acid?
The IUPAC name is 4,4,4-trifluoro-2-methylbutanoic acid.
What is the InChI key for 2-Methyl-4,4,4-trifluorobutyric acid?
The InChI key is OBUKEMPWKGDRJV-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-Methyl-4,4,4-trifluorobutyric acid have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-Methyl-4,4,4-trifluorobutyric acid?
The topological polar surface area is 37.3 Ų.
Is 2-Methyl-4,4,4-trifluorobutyric acid a canonicalized compound?
Yes, it is a canonicalized compound.
What is the XLogP3-AA value for 2-Methyl-4,4,4-trifluorobutyric acid?
The XLogP3-AA value is 1.8.
How many defined atom stereocenter counts does 2-Methyl-4,4,4-trifluorobutyric acid have?
It has 0 defined atom stereocenter counts.
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