(3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one

C5H7F2NO2 — CID 68940202

IUPAC(3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
SMILESCC(F)(F)[C@H]1NC(=O)[C@H]1O
InChIInChI=1S/C5H7F2NO2/c1-5(6,7)3-2(9)4(10)8-3/h2-3,9H,1H3,(H,8,10)/t2-,3-/m0/s1
InChIKeyUULOVAWCQHDYMO-HRFVKAFMSA-N
MW151.11 g/mol
LogP-0.50
Rot. Bonds1

About (3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one

(3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one (PubChem CID 68940202) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is (3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
PubChem CID68940202
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name(3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
SMILESCC(F)(F)[C@H]1NC(=O)[C@H]1O
InChIInChI=1S/C5H7F2NO2/c1-5(6,7)3-2(9)4(10)8-3/h2-3,9H,1H3,(H,8,10)/t2-,3-/m0/s1
InChIKeyUULOVAWCQHDYMO-HRFVKAFMSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 57029241
(3R,4R)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
CID 57784953
3-amino-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide
CID 59519616
4-(1,1-Difluoroethyl)-3-hydroxy-azetidin-2-one
CID 68940200
N-cyclopropyl-3-(ethylamino)-5,5-difluoro-2-hydroxypentanamide
CID 70871182
(2S,3S)-3-Amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421
N-cyclopropyl-5,5-difluoro-2-hydroxy-3-(methylamino)pentanamide
CID 89671888
(3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one
CID 12986313
3-Hydroxy-4-(trifluoromethyl)azetidin-2-one
CID 73178511
(3R,4R)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one
CID 162567266
CID 10034587
CID 10034587
(3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one
CID 11228860

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one?
The IUPAC name of (3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one (CID 68940202) is (3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one?
The canonical SMILES for (3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one is CC(F)(F)[C@H]1NC(=O)[C@H]1O.
What is the InChIKey of (3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one?
The InChIKey is UULOVAWCQHDYMO-HRFVKAFMSA-N. The full InChI is InChI=1S/C5H7F2NO2/c1-5(6,7)3-2(9)4(10)8-3/h2-3,9H,1H3,(H,8,10)/t2-,3-/m0/s1.
What are the key properties of (3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one?
(3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one has a molecular weight of 151.11 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one is sourced from PubChem (CID 68940202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).