4,5-difluoro-2-(2-methoxyphenyl)benzonitrile

C14H9F2NO — CID 172648926

IUPAC4,5-difluoro-2-(2-methoxyphenyl)benzonitrile
SMILESCOc1ccccc1-c1cc(F)c(F)cc1C#N
InChIInChI=1S/C14H9F2NO/c1-18-14-5-3-2-4-10(14)11-7-13(16)12(15)6-9(11)8-17/h2-7H,1H3
InChIKeyBIXKVWOBUASQSC-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.51
Rot. Bonds2

About 4,5-difluoro-2-(2-methoxyphenyl)benzonitrile

4,5-difluoro-2-(2-methoxyphenyl)benzonitrile (PubChem CID 172648926) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 4,5-difluoro-2-(2-methoxyphenyl)benzonitrile.

Molecular Properties

Compound Name4,5-difluoro-2-(2-methoxyphenyl)benzonitrile
PubChem CID172648926
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name4,5-difluoro-2-(2-methoxyphenyl)benzonitrile
SMILESCOc1ccccc1-c1cc(F)c(F)cc1C#N
InChIInChI=1S/C14H9F2NO/c1-18-14-5-3-2-4-10(14)11-7-13(16)12(15)6-9(11)8-17/h2-7H,1H3
InChIKeyBIXKVWOBUASQSC-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206
2-ethynyl-3-(2-methoxyphenyl)benzonitrile
CID 87527012
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
2-(2-methoxy-4-methylphenyl)benzonitrile
CID 19389898
4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
4-(cyanomethyl)-5-fluoro-2-methoxybenzonitrile
CID 171031195
4-fluoro-2-[(2-methoxyanilino)methyl]benzonitrile
CID 103761075
4-bromo-5-methoxy-2-phenylbenzonitrile
CID 175277846

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(2-methoxyphenyl)benzonitrile?
The IUPAC name of 4,5-difluoro-2-(2-methoxyphenyl)benzonitrile (CID 172648926) is 4,5-difluoro-2-(2-methoxyphenyl)benzonitrile.
What is the SMILES notation for 4,5-difluoro-2-(2-methoxyphenyl)benzonitrile?
The canonical SMILES for 4,5-difluoro-2-(2-methoxyphenyl)benzonitrile is COc1ccccc1-c1cc(F)c(F)cc1C#N.
What is the InChIKey of 4,5-difluoro-2-(2-methoxyphenyl)benzonitrile?
The InChIKey is BIXKVWOBUASQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c1-18-14-5-3-2-4-10(14)11-7-13(16)12(15)6-9(11)8-17/h2-7H,1H3.
What are the key properties of 4,5-difluoro-2-(2-methoxyphenyl)benzonitrile?
4,5-difluoro-2-(2-methoxyphenyl)benzonitrile has a molecular weight of 245.23 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(2-methoxyphenyl)benzonitrile is sourced from PubChem (CID 172648926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).