3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene

C13H9ClF2O — CID 174993778

IUPAC3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(F)c1-c1ccccc1Cl
InChIInChI=1S/C13H9ClF2O/c1-17-11-7-6-10(15)13(16)12(11)8-4-2-3-5-9(8)14/h2-7H,1H3
InChIKeyCBAZUOXARXFQEF-UHFFFAOYSA-N
MW254.66 g/mol
LogP4.29
Rot. Bonds2

About 3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene

3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene (PubChem CID 174993778) has the molecular formula C13H9ClF2O and a molecular weight of 254.66 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
PubChem CID174993778
Molecular FormulaC13H9ClF2O
Molecular Weight254.66 g/mol
Exact Mass254.03
IUPAC Name3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(F)c1-c1ccccc1Cl
InChIInChI=1S/C13H9ClF2O/c1-17-11-7-6-10(15)13(16)12(11)8-4-2-3-5-9(8)14/h2-7H,1H3
InChIKeyCBAZUOXARXFQEF-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane
CID 175553236
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
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1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 134629660
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
1-chloro-2-methoxybenzene
CID 13011
2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene
CID 175404972
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene
CID 56601836

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene?
The IUPAC name of 3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene (CID 174993778) is 3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene.
What is the SMILES notation for 3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene?
The canonical SMILES for 3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene is COc1ccc(F)c(F)c1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene?
The InChIKey is CBAZUOXARXFQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O/c1-17-11-7-6-10(15)13(16)12(11)8-4-2-3-5-9(8)14/h2-7H,1H3.
What are the key properties of 3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene?
3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene has a molecular weight of 254.66 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene is sourced from PubChem (CID 174993778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).