2-(3,4-difluorophenoxy)-3-methylbenzonitrile

C14H9F2NO — CID 107107508

IUPAC2-(3,4-difluorophenoxy)-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Oc1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2NO/c1-9-3-2-4-10(8-17)14(9)18-11-5-6-12(15)13(16)7-11/h2-7H,1H3
InChIKeyPMUOQHQOUWJUFV-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.94
Rot. Bonds2

About 2-(3,4-difluorophenoxy)-3-methylbenzonitrile

2-(3,4-difluorophenoxy)-3-methylbenzonitrile (PubChem CID 107107508) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-3-methylbenzonitrile
PubChem CID107107508
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-(3,4-difluorophenoxy)-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Oc1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2NO/c1-9-3-2-4-10(8-17)14(9)18-11-5-6-12(15)13(16)7-11/h2-7H,1H3
InChIKeyPMUOQHQOUWJUFV-UHFFFAOYSA-N
XLogP3.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile
CID 107111192
3-methyl-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 107107494
4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 139067374
2-(2-fluorophenoxy)-3-methylbenzonitrile
CID 107107441
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
4-(2-cyano-6-methylphenoxy)benzamide
CID 107107475
2-(2-amino-4-bromo-5-fluorophenoxy)-3-methylbenzonitrile
CID 107111227
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417
2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile
CID 143183138
2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxy]-3-methylbenzonitrile
CID 22922149
3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile
CID 23160348
2-(2-fluoro-5-methoxyanilino)-3-methylbenzonitrile
CID 107107062

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-3-methylbenzonitrile?
The IUPAC name of 2-(3,4-difluorophenoxy)-3-methylbenzonitrile (CID 107107508) is 2-(3,4-difluorophenoxy)-3-methylbenzonitrile.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-3-methylbenzonitrile?
The canonical SMILES for 2-(3,4-difluorophenoxy)-3-methylbenzonitrile is Cc1cccc(C#N)c1Oc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-3-methylbenzonitrile?
The InChIKey is PMUOQHQOUWJUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c1-9-3-2-4-10(8-17)14(9)18-11-5-6-12(15)13(16)7-11/h2-7H,1H3.
What are the key properties of 2-(3,4-difluorophenoxy)-3-methylbenzonitrile?
2-(3,4-difluorophenoxy)-3-methylbenzonitrile has a molecular weight of 245.23 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-3-methylbenzonitrile is sourced from PubChem (CID 107107508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).