1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene

C13H9F3O — CID 18930756

IUPAC1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C13H9F3O/c1-17-13-5-3-9(7-12(13)16)8-2-4-10(14)11(15)6-8/h2-7H,1H3
InChIKeyJACQLYZPFRZBSD-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.78
Rot. Bonds2

About 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene

1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene (PubChem CID 18930756) has the molecular formula C13H9F3O and a molecular weight of 238.21 g/mol. Its IUPAC name is 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
PubChem CID18930756
Molecular FormulaC13H9F3O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C13H9F3O/c1-17-13-5-3-9(7-12(13)16)8-2-4-10(14)11(15)6-8/h2-7H,1H3
InChIKeyJACQLYZPFRZBSD-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
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CID 174501596
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
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1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene?
The IUPAC name of 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene (CID 18930756) is 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene is COc1ccc(-c2ccc(F)c(F)c2)cc1F.
What is the InChIKey of 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene?
The InChIKey is JACQLYZPFRZBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O/c1-17-13-5-3-9(7-12(13)16)8-2-4-10(14)11(15)6-8/h2-7H,1H3.
What are the key properties of 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene?
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene has a molecular weight of 238.21 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene is sourced from PubChem (CID 18930756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).