1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene

C13H9ClF2O — CID 119001731

IUPAC1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
SMILESCOc1ccc(-c2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C13H9ClF2O/c1-17-8-5-6-9(11(14)7-8)10-3-2-4-12(15)13(10)16/h2-7H,1H3
InChIKeyRHHHPGRBQDRBPG-UHFFFAOYSA-N
MW254.66 g/mol
LogP4.29
Rot. Bonds2

About 1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene

1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene (PubChem CID 119001731) has the molecular formula C13H9ClF2O and a molecular weight of 254.66 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
PubChem CID119001731
Molecular FormulaC13H9ClF2O
Molecular Weight254.66 g/mol
Exact Mass254.03
IUPAC Name1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
SMILESCOc1ccc(-c2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C13H9ClF2O/c1-17-8-5-6-9(11(14)7-8)10-3-2-4-12(15)13(10)16/h2-7H,1H3
InChIKeyRHHHPGRBQDRBPG-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

1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
3-chloro-2-(2,3-difluorophenyl)-5-methoxypyridine
CID 133088408
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene
CID 119023338
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
CID 146431475
2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 59585047
3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine
CID 133087903
1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
CID 134627065
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline
CID 114590589
4-chloro-8-fluoro-2-(2-fluoro-4-methoxyphenyl)quinazoline
CID 102882508

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene (CID 119001731) is 1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene is COc1ccc(-c2cccc(F)c2F)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene?
The InChIKey is RHHHPGRBQDRBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O/c1-17-8-5-6-9(11(14)7-8)10-3-2-4-12(15)13(10)16/h2-7H,1H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene?
1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene 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 1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene is sourced from PubChem (CID 119001731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).