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

C14H9F2NO — CID 63036941

IUPAC4-[(2,3-difluorophenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(F)c2F)cc1
InChIInChI=1S/C14H9F2NO/c15-12-2-1-3-13(14(12)16)18-9-11-6-4-10(8-17)5-7-11/h1-7H,9H2
InChIKeyVXAUFFXSSCOCNT-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.42
Rot. Bonds3

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

4-[(2,3-difluorophenoxy)methyl]benzonitrile (PubChem CID 63036941) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-[(2,3-difluorophenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2,3-difluorophenoxy)methyl]benzonitrile
PubChem CID63036941
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name4-[(2,3-difluorophenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(F)c2F)cc1
InChIInChI=1S/C14H9F2NO/c15-12-2-1-3-13(14(12)16)18-9-11-6-4-10(8-17)5-7-11/h1-7H,9H2
InChIKeyVXAUFFXSSCOCNT-UHFFFAOYSA-N
XLogP3.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 102665921
4-[3-(2,3-difluorophenoxy)-2-hydroxypropoxy]benzonitrile
CID 84590436
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
4-[(2-bromo-3-pyridinyl)oxymethyl]benzonitrile
CID 47808098
4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107686277
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
4-[[2-fluoro-4-[9-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]nonyl]phenoxy]methyl]benzonitrile
CID 90051551
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile
CID 59255294
2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 18525684

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenoxy)methyl]benzonitrile?
The IUPAC name of 4-[(2,3-difluorophenoxy)methyl]benzonitrile (CID 63036941) is 4-[(2,3-difluorophenoxy)methyl]benzonitrile.
What is the SMILES notation for 4-[(2,3-difluorophenoxy)methyl]benzonitrile?
The canonical SMILES for 4-[(2,3-difluorophenoxy)methyl]benzonitrile is N#Cc1ccc(COc2cccc(F)c2F)cc1.
What is the InChIKey of 4-[(2,3-difluorophenoxy)methyl]benzonitrile?
The InChIKey is VXAUFFXSSCOCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c15-12-2-1-3-13(14(12)16)18-9-11-6-4-10(8-17)5-7-11/h1-7H,9H2.
What are the key properties of 4-[(2,3-difluorophenoxy)methyl]benzonitrile?
4-[(2,3-difluorophenoxy)methyl]benzonitrile has a molecular weight of 245.23 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenoxy)methyl]benzonitrile is sourced from PubChem (CID 63036941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).