2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one

C14H5Cl2F2NO2 — CID 21262496

IUPAC2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cccc(Cl)c2Cl)nc2cc(F)c(F)cc12
InChIInChI=1S/C14H5Cl2F2NO2/c15-8-3-1-2-6(12(8)16)13-19-11-5-10(18)9(17)4-7(11)14(20)21-13/h1-5H
InChIKeyUERJVBWSDMUJEC-UHFFFAOYSA-N
MW328.10 g/mol
LogP4.44
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one

2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one (PubChem CID 21262496) has the molecular formula C14H5Cl2F2NO2 and a molecular weight of 328.10 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one
PubChem CID21262496
Molecular FormulaC14H5Cl2F2NO2
Molecular Weight328.10 g/mol
Exact Mass326.97
IUPAC Name2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cccc(Cl)c2Cl)nc2cc(F)c(F)cc12
InChIInChI=1S/C14H5Cl2F2NO2/c15-8-3-1-2-6(12(8)16)13-19-11-5-10(18)9(17)4-7(11)14(20)21-13/h1-5H
InChIKeyUERJVBWSDMUJEC-UHFFFAOYSA-N
XLogP4.44
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-6,7-diethoxy-3,1-benzoxazin-4-one
CID 8012933
6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
CID 132786054
6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 23630817
2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one
CID 2732636
2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one
CID 21262472
2-(2,3-dichlorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole
CID 91675105
6-chloro-2-[4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
CID 18432334
2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
CID 107051419
2-(2,3-dichlorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 91673835
2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole
CID 114771035
2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one
CID 118913443
2-(2-bromophenyl)-6-[[2-(2-bromophenyl)-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one
CID 4214551

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one (CID 21262496) is 2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one is O=c1oc(-c2cccc(Cl)c2Cl)nc2cc(F)c(F)cc12.
What is the InChIKey of 2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one?
The InChIKey is UERJVBWSDMUJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5Cl2F2NO2/c15-8-3-1-2-6(12(8)16)13-19-11-5-10(18)9(17)4-7(11)14(20)21-13/h1-5H.
What are the key properties of 2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one?
2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one has a molecular weight of 328.10 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one is sourced from PubChem (CID 21262496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).