4-(5-chloro-2-fluorophenyl)azetidin-2-one

C9H7ClFNO — CID 114866834

IUPAC4-(5-chloro-2-fluorophenyl)azetidin-2-one
SMILESO=C1CC(c2cc(Cl)ccc2F)N1
InChIInChI=1S/C9H7ClFNO/c10-5-1-2-7(11)6(3-5)8-4-9(13)12-8/h1-3,8H,4H2,(H,12,13)
InChIKeyRGRFHISTIYMTGX-UHFFFAOYSA-N
MW199.61 g/mol
LogP2.04
Rot. Bonds1

About 4-(5-chloro-2-fluorophenyl)azetidin-2-one

4-(5-chloro-2-fluorophenyl)azetidin-2-one (PubChem CID 114866834) has the molecular formula C9H7ClFNO and a molecular weight of 199.61 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)azetidin-2-one
PubChem CID114866834
Molecular FormulaC9H7ClFNO
Molecular Weight199.61 g/mol
Exact Mass199.02
IUPAC Name4-(5-chloro-2-fluorophenyl)azetidin-2-one
SMILESO=C1CC(c2cc(Cl)ccc2F)N1
InChIInChI=1S/C9H7ClFNO/c10-5-1-2-7(11)6(3-5)8-4-9(13)12-8/h1-3,8H,4H2,(H,12,13)
InChIKeyRGRFHISTIYMTGX-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.61
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-difluorophenyl)azetidin-2-one
CID 64665569
4-(5-chloro-2-fluorophenyl)cyclohexan-1-one
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2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
CID 13368796
2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 3247891
(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one
CID 129390835
3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
CID 43637896
4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 81156956
5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 102058464
2-[(5S)-5-(5-chloro-2-fluorophenyl)pyrrolidin-2-yl]-2-methylpropanenitrile
CID 155132829
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
(2S)-2-(5-chloro-2-ethylphenyl)azetidine
CID 55269141

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)azetidin-2-one?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)azetidin-2-one (CID 114866834) is 4-(5-chloro-2-fluorophenyl)azetidin-2-one.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)azetidin-2-one?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)azetidin-2-one is O=C1CC(c2cc(Cl)ccc2F)N1.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)azetidin-2-one?
The InChIKey is RGRFHISTIYMTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO/c10-5-1-2-7(11)6(3-5)8-4-9(13)12-8/h1-3,8H,4H2,(H,12,13).
What are the key properties of 4-(5-chloro-2-fluorophenyl)azetidin-2-one?
4-(5-chloro-2-fluorophenyl)azetidin-2-one has a molecular weight of 199.61 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)azetidin-2-one is sourced from PubChem (CID 114866834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).