2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C10H17F3N2O2 — CID 115759198

IUPAC2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC(O)CC1CCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7(16)5-8-3-2-4-15(8)9(17)14-6-10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyGYHGKJVEKMDKCM-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 115759198) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID115759198
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC(O)CC1CCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7(16)5-8-3-2-4-15(8)9(17)14-6-10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyGYHGKJVEKMDKCM-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxypropyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 53625376
2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 56791102
N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 56793078
2-(2-hydroxypropyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75506488
(2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 95628315
(2S)-2-[(1R)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 95628316
(2R)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 95628317
(2R)-2-[(1R)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 95628318
(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
(2R)-N-(2-methoxyethyl)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 95631540
(2S)-N-(2-methoxyethyl)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 95631541

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 115759198) is 2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC(O)CC1CCCN1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is GYHGKJVEKMDKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(16)5-8-3-2-4-15(8)9(17)14-6-10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17).
What are the key properties of 2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115759198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).