4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile

C14H8F3NO — CID 78952689

IUPAC4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2cccc(F)c2F)cc1F
InChIInChI=1S/C14H8F3NO/c15-12-3-1-2-10(14(12)17)8-19-11-5-4-9(7-18)13(16)6-11/h1-6H,8H2
InChIKeyHARRJHWNCJWKLJ-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.55
Rot. Bonds3

About 4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile

4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile (PubChem CID 78952689) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
PubChem CID78952689
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2cccc(F)c2F)cc1F
InChIInChI=1S/C14H8F3NO/c15-12-3-1-2-10(14(12)17)8-19-11-5-4-9(7-18)13(16)6-11/h1-6H,8H2
InChIKeyHARRJHWNCJWKLJ-UHFFFAOYSA-N
XLogP3.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
3-[4-[(2,3-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 65202921
3-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 43231297
2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile
CID 123347008
2-[2-[(4-cyano-3-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460804
2-amino-6-[(4-cyano-3-fluorophenoxy)methyl]benzoic acid
CID 104825540
3-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 107115102
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzonitrile
CID 78952741
2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile
CID 107118700
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
3-[(3-bromophenoxy)methyl]-2-fluorobenzonitrile
CID 107115105
2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
CID 107115097

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile (CID 78952689) is 4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile is N#Cc1ccc(OCc2cccc(F)c2F)cc1F.
What is the InChIKey of 4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile?
The InChIKey is HARRJHWNCJWKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-12-3-1-2-10(14(12)17)8-19-11-5-4-9(7-18)13(16)6-11/h1-6H,8H2.
What are the key properties of 4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile?
4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile has a molecular weight of 263.22 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile is sourced from PubChem (CID 78952689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).