(2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H15F5N2O2 — CID 99701904

IUPAC(2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCC[C@@H]1CO
InChIInChI=1S/C14H15F5N2O2/c15-10-5-1-4-9(11(10)16)12(14(17,18)19)20-13(23)21-6-2-3-8(21)7-22/h1,4-5,8,12,22H,2-3,6-7H2,(H,20,23)/t8-,12-/m1/s1
InChIKeyYODURBJCKNQUTJ-PRHODGIISA-N
MW338.28 g/mol
LogP2.73
Rot. Bonds3

About (2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 99701904) has the molecular formula C14H15F5N2O2 and a molecular weight of 338.28 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID99701904
Molecular FormulaC14H15F5N2O2
Molecular Weight338.28 g/mol
Exact Mass338.11
IUPAC Name(2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCC[C@@H]1CO
InChIInChI=1S/C14H15F5N2O2/c15-10-5-1-4-9(11(10)16)12(14(17,18)19)20-13(23)21-6-2-3-8(21)7-22/h1,4-5,8,12,22H,2-3,6-7H2,(H,20,23)/t8-,12-/m1/s1
InChIKeyYODURBJCKNQUTJ-PRHODGIISA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99698023
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]cyclopropanecarboxamide
CID 119033895
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97306489
(2R)-2-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75484952
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide
CID 97306483
N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428345
2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide
CID 111428204
3-fluoro-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 81497850
2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 111428052
(2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide
CID 124505468

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 99701904) is (2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is YODURBJCKNQUTJ-PRHODGIISA-N. The full InChI is InChI=1S/C14H15F5N2O2/c15-10-5-1-4-9(11(10)16)12(14(17,18)19)20-13(23)21-6-2-3-8(21)7-22/h1,4-5,8,12,22H,2-3,6-7H2,(H,20,23)/t8-,12-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 338.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99701904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).