2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide

C9H15F3N2O2 — CID 136511709

IUPAC2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-2-6(7(13)15)14-4-3-8(16,5-14)9(10,11)12/h6,16H,2-5H2,1H3,(H2,13,15)
InChIKeyNOSVMSYMSLEMLY-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.25
Rot. Bonds3

About 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide

2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide (PubChem CID 136511709) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide
PubChem CID136511709
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-2-6(7(13)15)14-4-3-8(16,5-14)9(10,11)12/h6,16H,2-5H2,1H3,(H2,13,15)
InChIKeyNOSVMSYMSLEMLY-UHFFFAOYSA-N
XLogP0.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 121203240
(2S)-2-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129429634
2-(3-hydroxy-3-methylpiperidin-1-yl)butanamide
CID 115874209
2-(8-azaspiro[4.5]decan-8-yl)butanamide
CID 63159383
1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151013
2-(3-azaspiro[5.5]undecan-3-yl)butanamide
CID 62921660
(2S)-2-chloro-1-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 129497688
(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 112737765
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064
(2R)-2-(4-tert-butylpiperazin-1-yl)butanamide
CID 157427714
1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol
CID 112737664

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide (CID 136511709) is 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
The InChIKey is NOSVMSYMSLEMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-2-6(7(13)15)14-4-3-8(16,5-14)9(10,11)12/h6,16H,2-5H2,1H3,(H2,13,15).
What are the key properties of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide has a molecular weight of 240.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 136511709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).