(2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide

C12H19F3N2O — CID 61180655

IUPAC(2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)[C@@H]1CCCN1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)8-3-1-4-9(7-8)17-11(18)10-5-2-6-16-10/h8-10,16H,1-7H2,(H,17,18)/t8?,9?,10-/m0/s1
InChIKeyRWFSXLFAMBFATQ-RTBKNWGFSA-N
MW264.29 g/mol
LogP1.98
Rot. Bonds2

About (2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide

(2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 61180655) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is (2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID61180655
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name(2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)[C@@H]1CCCN1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)8-3-1-4-9(7-8)17-11(18)10-5-2-6-16-10/h8-10,16H,1-7H2,(H,17,18)/t8?,9?,10-/m0/s1
InChIKeyRWFSXLFAMBFATQ-RTBKNWGFSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 9838664
(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
CID 10220206
(S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458594
(S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458603
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidin-1-yl)-ethanone
CID 44458617
(S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402967
(S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402971
(S)-2-Amino-2-cyclohexyl-1-(2,3,4,5-tetrafluoro-pyrrolidin-1-yl)-ethanone
CID 44402972
(2S)-N-(cyclohexylmethyl)-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864916
(S)-2-Amino-2-cyclohexyl-1-((3S,4S)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402970
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 71653718
(2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 139534066

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide (CID 61180655) is (2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is RWFSXLFAMBFATQ-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)8-3-1-4-9(7-8)17-11(18)10-5-2-6-16-10/h8-10,16H,1-7H2,(H,17,18)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61180655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).