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

C13H10F2O — CID 59532996

IUPAC1,2-difluoro-3-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C13H10F2O/c1-16-10-7-5-9(6-8-10)11-3-2-4-12(14)13(11)15/h2-8H,1H3
InChIKeyWCYIIKATOYXKLR-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.64
Rot. Bonds2

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

1,2-difluoro-3-(4-methoxyphenyl)benzene (PubChem CID 59532996) has the molecular formula C13H10F2O and a molecular weight of 220.22 g/mol. Its IUPAC name is 1,2-difluoro-3-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(4-methoxyphenyl)benzene
PubChem CID59532996
Molecular FormulaC13H10F2O
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name1,2-difluoro-3-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C13H10F2O/c1-16-10-7-5-9(6-8-10)11-3-2-4-12(14)13(11)15/h2-8H,1H3
InChIKeyWCYIIKATOYXKLR-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

1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
CID 134627065
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
CID 119001731
[4-(2,3-difluorophenyl)phenyl] formate
CID 126522814
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862
1,3-bis(4-methoxyphenyl)-2-methylsulfanylbenzene
CID 50916407
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene
CID 118809599
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 145190540
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(4-methoxyphenyl)benzene?
The IUPAC name of 1,2-difluoro-3-(4-methoxyphenyl)benzene (CID 59532996) is 1,2-difluoro-3-(4-methoxyphenyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(4-methoxyphenyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(4-methoxyphenyl)benzene is COc1ccc(-c2cccc(F)c2F)cc1.
What is the InChIKey of 1,2-difluoro-3-(4-methoxyphenyl)benzene?
The InChIKey is WCYIIKATOYXKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O/c1-16-10-7-5-9(6-8-10)11-3-2-4-12(14)13(11)15/h2-8H,1H3.
What are the key properties of 1,2-difluoro-3-(4-methoxyphenyl)benzene?
1,2-difluoro-3-(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 1,2-difluoro-3-(4-methoxyphenyl)benzene is sourced from PubChem (CID 59532996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).