2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide

C11H20F2N2O2 — CID 142081555

IUPAC2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1C[C@H](CC(C)(F)F)CC1O
InChIInChI=1S/C11H20F2N2O2/c1-3-8(10(14)17)15-6-7(4-9(15)16)5-11(2,12)13/h7-9,16H,3-6H2,1-2H3,(H2,14,17)/t7-,8?,9?/m0/s1
InChIKeySETIRTTUPBMGID-UEJVZZJDSA-N
MW250.29 g/mol
LogP0.94
Rot. Bonds5

About 2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide

2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide (PubChem CID 142081555) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide
PubChem CID142081555
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1C[C@H](CC(C)(F)F)CC1O
InChIInChI=1S/C11H20F2N2O2/c1-3-8(10(14)17)15-6-7(4-9(15)16)5-11(2,12)13/h7-9,16H,3-6H2,1-2H3,(H2,14,17)/t7-,8?,9?/m0/s1
InChIKeySETIRTTUPBMGID-UEJVZZJDSA-N
XLogP0.94
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-Hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56792531
(3R)-3-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95630201
(3R)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95630202
(3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 100850882
2-[2-(2-hydroxyethyl)pentylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106115183
(2S)-N-[2-(2-hydroxyethyl)cyclopentyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 119050451
(2S)-N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 124627493
(2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 124627494
(2S)-N-[(1R,2S)-2-(2-hydroxyethyl)cyclopentyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 124627495
(2S)-N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 124627496
(3S)-3-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124726755
(2S)-2-(2-hydroxy-4-propylpyrrolidin-1-yl)butanamide
CID 69770117

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide (CID 142081555) is 2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1C[C@H](CC(C)(F)F)CC1O.
What is the InChIKey of 2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide?
The InChIKey is SETIRTTUPBMGID-UEJVZZJDSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-3-8(10(14)17)15-6-7(4-9(15)16)5-11(2,12)13/h7-9,16H,3-6H2,1-2H3,(H2,14,17)/t7-,8?,9?/m0/s1.
What are the key properties of 2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide?
2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide has a molecular weight of 250.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide is sourced from PubChem (CID 142081555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).