2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile

C14H7F2NO2 — CID 43609110

IUPAC2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile
SMILESN#Cc1c(F)cccc1Oc1ccc(C=O)cc1F
InChIInChI=1S/C14H7F2NO2/c15-11-2-1-3-13(10(11)7-17)19-14-5-4-9(8-18)6-12(14)16/h1-6,8H
InChIKeyAWSVJWFALVUAER-UHFFFAOYSA-N
MW259.21 g/mol
LogP3.44
Rot. Bonds3

About 2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile

2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile (PubChem CID 43609110) has the molecular formula C14H7F2NO2 and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile
PubChem CID43609110
Molecular FormulaC14H7F2NO2
Molecular Weight259.21 g/mol
Exact Mass259.04
IUPAC Name2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile
SMILESN#Cc1c(F)cccc1Oc1ccc(C=O)cc1F
InChIInChI=1S/C14H7F2NO2/c15-11-2-1-3-13(10(11)7-17)19-14-5-4-9(8-18)6-12(14)16/h1-6,8H
InChIKeyAWSVJWFALVUAER-UHFFFAOYSA-N
XLogP3.44
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 53.44
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

2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372522
2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile
CID 118679156
3-chloro-4-(2-cyano-3-fluorophenoxy)benzoic acid
CID 79522906
methyl 2-(2-cyano-3-fluorophenoxy)-4-fluorobenzoate
CID 67227369
2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
CID 79513408
2-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-6-fluorobenzonitrile
CID 78938120
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
2-[4-(bromomethyl)-2-methylphenoxy]-6-fluorobenzonitrile
CID 107087791
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
2-[2-(1-aminoethyl)-4-bromophenoxy]-6-fluorobenzonitrile
CID 82975947
3-fluoro-4-(4-formyl-2-nitrophenoxy)benzonitrile
CID 107665695

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile (CID 43609110) is 2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile is N#Cc1c(F)cccc1Oc1ccc(C=O)cc1F.
What is the InChIKey of 2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile?
The InChIKey is AWSVJWFALVUAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO2/c15-11-2-1-3-13(10(11)7-17)19-14-5-4-9(8-18)6-12(14)16/h1-6,8H.
What are the key properties of 2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile?
2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile has a molecular weight of 259.21 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile is sourced from PubChem (CID 43609110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).