phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone

C14H16F3NO — CID 176730294

IUPACphenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H]1CCC(F)(F)F
InChIInChI=1S/C14H16F3NO/c15-14(16,17)9-8-12-7-4-10-18(12)13(19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKeyARQZGMXORBURFL-LBPRGKRZSA-N
MW271.28 g/mol
LogP3.63
Rot. Bonds3

About phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone

phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone (PubChem CID 176730294) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone
PubChem CID176730294
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Namephenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H]1CCC(F)(F)F
InChIInChI=1S/C14H16F3NO/c15-14(16,17)9-8-12-7-4-10-18(12)13(19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKeyARQZGMXORBURFL-LBPRGKRZSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
CID 142034272
2-[1-(4-acetylbenzoyl)pyrrolidin-2-yl]-1-phenylethanone
CID 75425281
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone (CID 176730294) is phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone is O=C(c1ccccc1)N1CCC[C@H]1CCC(F)(F)F.
What is the InChIKey of phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone?
The InChIKey is ARQZGMXORBURFL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)9-8-12-7-4-10-18(12)13(19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1.
What are the key properties of phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone?
phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone has a molecular weight of 271.28 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2S)-2-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 176730294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).