(2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C8H13F3N2O2 — CID 103631549

IUPAC(2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC[C@@H]1CO
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)13-3-1-2-6(13)4-14/h6,14H,1-5H2,(H,12,15)/t6-/m1/s1
InChIKeyOSEZIHYIWCNNIW-ZCFIWIBFSA-N
MW226.20 g/mol
LogP0.71
Rot. Bonds2

About (2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 103631549) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID103631549
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name(2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC[C@@H]1CO
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)13-3-1-2-6(13)4-14/h6,14H,1-5H2,(H,12,15)/t6-/m1/s1
InChIKeyOSEZIHYIWCNNIW-ZCFIWIBFSA-N
XLogP0.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 14641509
(R)-2-(Hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
(2S)-2-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75506487
(2S,4S)-4-fluoro-2-(hydroxymethyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 132289380
1-[(5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-yl]-1,3-diazinan-2-one
CID 148073975
(S)-2,2,2-Trifluoro-N-(2-(2-(hydroxymethyl)pyrrolidin-1-YL)ethyl)acetamide
CID 176175197
N-(3-methoxypropyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 53625376
N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 56793078
(2R)-2-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75484952
2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide
CID 86817401
(2R)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 95631538
(2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 95631539

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 103631549) is (2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is OSEZIHYIWCNNIW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)13-3-1-2-6(13)4-14/h6,14H,1-5H2,(H,12,15)/t6-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 103631549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).