CAS
95796-70-6 Purity
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95796-70-6 Purity
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3-(4-(Trifluoromethyl)benzyl)pyrrolidine
CAS
957998-84-4
Catalog Number
ACM957998844
Category
Other Products
Molecular Formula
C12H14F3N
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Specification
Synonyms
3-(4-(trifluoromethyl)benzyl)pyrrolidine;3-[[4-(TRIFLUOROMETHYL)PHENYL]METHYL]-PYRROLIDINE
What is the molecular formula of the compound with PubChem CID 3300416?
The molecular formula is C12H14F3N.
What is the IUPAC name of the compound?
The IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the InChIKey of the compound?
The InChIKey is WPPDXXSXLYSCJH-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass is 229.10783394 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
Is the compound's canonical SMILES C1CNCC1CC2=CC=C(C=C2)C(F)(F)F?
Yes, the compound's canonical SMILES is C1CNCC1CC2=CC=C(C=C2)C(F)(F)F.
What is the topological polar surface area of the compound?
The topological polar surface area is 12.2.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
When was the compound created and last modified in PubChem?
The compound was created on 2005-09-06 and last modified on 2023-12-30.
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