2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile

C14H9F2NO — CID 54234925

IUPAC2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(F)c(Oc2ccc(F)cc2)c1
InChIInChI=1S/C14H9F2NO/c15-11-2-4-12(5-3-11)18-14-9-10(7-8-17)1-6-13(14)16/h1-6,9H,7H2
InChIKeyLERKCSVDQGTWJK-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.82
Rot. Bonds3

About 2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile

2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile (PubChem CID 54234925) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile
PubChem CID54234925
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(F)c(Oc2ccc(F)cc2)c1
InChIInChI=1S/C14H9F2NO/c15-11-2-4-12(5-3-11)18-14-9-10(7-8-17)1-6-13(14)16/h1-6,9H,7H2
InChIKeyLERKCSVDQGTWJK-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile
CID 54073521
2-(4-fluoro-3-phenoxyphenyl)acetonitrile
CID 11172199
2-[3-(3-bromophenoxy)-4-fluorophenyl]acetonitrile
CID 18456835
4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile
CID 43657432
2-(4-fluoro-3-pyridin-2-yloxyphenyl)acetonitrile
CID 54472128
4-(2,5-difluorophenoxy)benzonitrile
CID 63269334
2-[4-(2-amino-4-fluoro-5-methylphenoxy)phenyl]acetonitrile
CID 103590907
2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile
CID 62533029
2-[4-(2-amino-5-chlorophenoxy)phenyl]acetonitrile
CID 115469218
2-(4-chlorophenoxy)-4-[[3-(4-chlorophenoxy)-4-fluorophenyl]methoxymethyl]-1-fluorobenzene
CID 139679017
2-[4-fluoro-3-(4-fluorophenoxy)phenyl]-2-[[4-fluoro-3-(4-methylphenoxy)phenyl]methylperoxy]acetonitrile
CID 88788793
2-[4-[2-(1-aminoethyl)-3-fluorophenoxy]phenyl]acetonitrile
CID 43189143

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile?
The IUPAC name of 2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile (CID 54234925) is 2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile is N#CCc1ccc(F)c(Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile?
The InChIKey is LERKCSVDQGTWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c15-11-2-4-12(5-3-11)18-14-9-10(7-8-17)1-6-13(14)16/h1-6,9H,7H2.
What are the key properties of 2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile?
2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile has a molecular weight of 245.23 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile is sourced from PubChem (CID 54234925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).