2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile

C15H10FNO2 — CID 123347008

IUPAC2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccccc2C=O)cc1F
InChIInChI=1S/C15H10FNO2/c16-15-7-14(6-5-11(15)8-17)19-10-13-4-2-1-3-12(13)9-18/h1-7,9H,10H2
InChIKeyBVSVYRJTNQNFGO-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.09
Rot. Bonds4

About 2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile

2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile (PubChem CID 123347008) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile
PubChem CID123347008
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccccc2C=O)cc1F
InChIInChI=1S/C15H10FNO2/c16-15-7-14(6-5-11(15)8-17)19-10-13-4-2-1-3-12(13)9-18/h1-7,9H,10H2
InChIKeyBVSVYRJTNQNFGO-UHFFFAOYSA-N
XLogP3.09
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
2-[2-[(4-cyano-3-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460804
4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
CID 78952689
2-amino-6-[(4-cyano-3-fluorophenoxy)methyl]benzoic acid
CID 104825540
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzonitrile
CID 78952741
2-[(2,4-difluorophenoxy)methyl]benzaldehyde
CID 87366498
4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile
CID 78952742
2-[[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 107720579
2-fluoro-4-[(3-nitrophenyl)methoxy]benzonitrile
CID 78952676
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile
CID 78952690
2-fluoro-5-(2-formylphenoxy)benzonitrile
CID 90204991

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile?
The IUPAC name of 2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile (CID 123347008) is 2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2ccccc2C=O)cc1F.
What is the InChIKey of 2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile?
The InChIKey is BVSVYRJTNQNFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-15-7-14(6-5-11(15)8-17)19-10-13-4-2-1-3-12(13)9-18/h1-7,9H,10H2.
What are the key properties of 2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile?
2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile has a molecular weight of 255.25 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile is sourced from PubChem (CID 123347008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).