2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C10H17F3N2O2 — CID 75386169

IUPAC2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCC(CO)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(9(17)14-6-10(11,12)13)15-3-2-8(4-15)5-16/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyDQPCYQOGXPFDFG-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.37
Rot. Bonds4

About 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 75386169) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID75386169
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCC(CO)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(9(17)14-6-10(11,12)13)15-3-2-8(4-15)5-16/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyDQPCYQOGXPFDFG-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 44367532
2-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 44367491
2,2,2-trifluoro-N-[(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 129314274
2,2,2-trifluoro-N-[4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 129314276
2,2,2-trifluoro-N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 129314277
2,2,2-trifluoro-N-[(3R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 130203902
2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 130223962
methyl N-[(2S)-1-[(3S)-3-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 141387577
4-hydroxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 54871919
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62371374
2-amino-4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 62472672
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66052641

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 75386169) is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N1CCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DQPCYQOGXPFDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(9(17)14-6-10(11,12)13)15-3-2-8(4-15)5-16/h7-8,16H,2-6H2,1H3,(H,14,17).
What are the key properties of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 75386169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).