1,3-difluoro-5-(4-methoxyphenyl)benzene

C13H10F2O — CID 11499528

IUPAC1,3-difluoro-5-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C13H10F2O/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-8H,1H3
InChIKeyUFNFKGALOVQDLX-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.64
Rot. Bonds2

About 1,3-difluoro-5-(4-methoxyphenyl)benzene

1,3-difluoro-5-(4-methoxyphenyl)benzene (PubChem CID 11499528) has the molecular formula C13H10F2O and a molecular weight of 220.22 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(4-methoxyphenyl)benzene
PubChem CID11499528
Molecular FormulaC13H10F2O
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name1,3-difluoro-5-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C13H10F2O/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-8H,1H3
InChIKeyUFNFKGALOVQDLX-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene
CID 70699755
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
[4-(3-fluoro-5-methoxyphenyl)phenyl]methanol
CID 170385205
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
4-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
CID 132540116
2-(3-fluorophenyl)-6-methoxynaphthalene
CID 45156519
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium
CID 154594189

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-methoxyphenyl)benzene?
The IUPAC name of 1,3-difluoro-5-(4-methoxyphenyl)benzene (CID 11499528) is 1,3-difluoro-5-(4-methoxyphenyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(4-methoxyphenyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(4-methoxyphenyl)benzene is COc1ccc(-c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-(4-methoxyphenyl)benzene?
The InChIKey is UFNFKGALOVQDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-8H,1H3.
What are the key properties of 1,3-difluoro-5-(4-methoxyphenyl)benzene?
1,3-difluoro-5-(4-methoxyphenyl)benzene has a molecular weight of 220.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-methoxyphenyl)benzene is sourced from PubChem (CID 11499528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).