2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile

C15H11F2NO — CID 175670200

IUPAC2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile
SMILESCOc1cc(-c2cccc(F)c2F)ccc1CC#N
InChIInChI=1S/C15H11F2NO/c1-19-14-9-11(6-5-10(14)7-8-18)12-3-2-4-13(16)15(12)17/h2-6,9H,7H2,1H3
InChIKeyRHXJOFYKCJKWNR-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.71
Rot. Bonds3

About 2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile

2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile (PubChem CID 175670200) has the molecular formula C15H11F2NO and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile
PubChem CID175670200
Molecular FormulaC15H11F2NO
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC Name2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile
SMILESCOc1cc(-c2cccc(F)c2F)ccc1CC#N
InChIInChI=1S/C15H11F2NO/c1-19-14-9-11(6-5-10(14)7-8-18)12-3-2-4-13(16)15(12)17/h2-6,9H,7H2,1H3
InChIKeyRHXJOFYKCJKWNR-UHFFFAOYSA-N
XLogP3.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thymyl methyl ether
CID 14104
Carvacryl methyl ether
CID 80790
2-Methoxybiphenyl
CID 6835
4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile
CID 104171
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
CID 104172
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy-
CID 104291
(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
CID 104292
[1,1'-Biphenyl]-4-carbonitrile, 4'-methoxy-
CID 93892
[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
CID 104173
(1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-
CID 162465
4-Methoxy-1-naphthonitrile
CID 80063
(3-Methoxyphenyl)acetonitrile
CID 88310

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile?
The IUPAC name of 2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile (CID 175670200) is 2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile?
The canonical SMILES for 2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile is COc1cc(-c2cccc(F)c2F)ccc1CC#N.
What is the InChIKey of 2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile?
The InChIKey is RHXJOFYKCJKWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c1-19-14-9-11(6-5-10(14)7-8-18)12-3-2-4-13(16)15(12)17/h2-6,9H,7H2,1H3.
What are the key properties of 2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile?
2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile has a molecular weight of 259.25 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile is sourced from PubChem (CID 175670200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).