3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile

C14H8ClF2NO — CID 102665921

IUPAC3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H8ClF2NO/c15-11-6-9(7-18)4-5-10(11)8-19-13-3-1-2-12(16)14(13)17/h1-6H,8H2
InChIKeyQZSXVYKOGFVHTF-UHFFFAOYSA-N
MW279.67 g/mol
LogP4.07
Rot. Bonds3

About 3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile

3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile (PubChem CID 102665921) has the molecular formula C14H8ClF2NO and a molecular weight of 279.67 g/mol. Its IUPAC name is 3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile
PubChem CID102665921
Molecular FormulaC14H8ClF2NO
Molecular Weight279.67 g/mol
Exact Mass279.03
IUPAC Name3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H8ClF2NO/c15-11-6-9(7-18)4-5-10(11)8-19-13-3-1-2-12(16)14(13)17/h1-6H,8H2
InChIKeyQZSXVYKOGFVHTF-UHFFFAOYSA-N
XLogP4.07
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 60695071
3-chloro-4-(naphthalen-1-yloxymethyl)benzonitrile
CID 102665796
3-chloro-4-[(2,3-dimethylphenoxy)methyl]benzonitrile
CID 102665776
4-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-3-chlorobenzonitrile
CID 102668795
4-[(2-tert-butylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665767
4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 63036941
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
3-chloro-4-(phenoxymethyl)benzonitrile
CID 102665790
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088
2-[2-[(2-chloro-4-cyanophenyl)methoxy]phenyl]acetic acid
CID 102663373
4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile
CID 107670241
4-[[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]methyl]-3-chlorobenzonitrile
CID 102663705

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile?
The IUPAC name of 3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile (CID 102665921) is 3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile.
What is the SMILES notation for 3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile?
The canonical SMILES for 3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile is N#Cc1ccc(COc2cccc(F)c2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile?
The InChIKey is QZSXVYKOGFVHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2NO/c15-11-6-9(7-18)4-5-10(11)8-19-13-3-1-2-12(16)14(13)17/h1-6H,8H2.
What are the key properties of 3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile?
3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile has a molecular weight of 279.67 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile is sourced from PubChem (CID 102665921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).