3-(2-fluorophenyl)-5-methoxybenzonitrile

C14H10FNO — CID 172989949

IUPAC3-(2-fluorophenyl)-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(-c2ccccc2F)c1
InChIInChI=1S/C14H10FNO/c1-17-12-7-10(9-16)6-11(8-12)13-4-2-3-5-14(13)15/h2-8H,1H3
InChIKeyBBQQCRGFYJWBFI-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.37
Rot. Bonds2

About 3-(2-fluorophenyl)-5-methoxybenzonitrile

3-(2-fluorophenyl)-5-methoxybenzonitrile (PubChem CID 172989949) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methoxybenzonitrile
PubChem CID172989949
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name3-(2-fluorophenyl)-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(-c2ccccc2F)c1
InChIInChI=1S/C14H10FNO/c1-17-12-7-10(9-16)6-11(8-12)13-4-2-3-5-14(13)15/h2-8H,1H3
InChIKeyBBQQCRGFYJWBFI-UHFFFAOYSA-N
XLogP3.37
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 172989952
3-(2-methoxyphenyl)-5-(trifluoromethoxy)benzonitrile
CID 172990900
1-[2-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethynyl]phenyl]-3,5-dimethoxybenzene
CID 23727303
3-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methoxybenzonitrile
CID 122475979
3-(2,4-dimethoxyphenyl)-5-fluorobenzonitrile
CID 172990799
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743
3-(3-methoxyphenyl)benzonitrile
CID 4189594
1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
CID 134627065
4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile
CID 118264823
2-(3-cyano-5-methoxyphenoxy)-3-fluorobenzoic acid
CID 103566607
3-(2-acetyl-3-fluorophenoxy)-5-methoxybenzonitrile
CID 103567815
3-bromo-5-(3,5-dimethoxyphenyl)-4-hydroxybenzonitrile
CID 167329088

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methoxybenzonitrile?
The IUPAC name of 3-(2-fluorophenyl)-5-methoxybenzonitrile (CID 172989949) is 3-(2-fluorophenyl)-5-methoxybenzonitrile.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methoxybenzonitrile?
The canonical SMILES for 3-(2-fluorophenyl)-5-methoxybenzonitrile is COc1cc(C#N)cc(-c2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-5-methoxybenzonitrile?
The InChIKey is BBQQCRGFYJWBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c1-17-12-7-10(9-16)6-11(8-12)13-4-2-3-5-14(13)15/h2-8H,1H3.
What are the key properties of 3-(2-fluorophenyl)-5-methoxybenzonitrile?
3-(2-fluorophenyl)-5-methoxybenzonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methoxybenzonitrile is sourced from PubChem (CID 172989949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).