2-(4-fluoro-3-phenoxyphenyl)acetonitrile

C14H10FNO — CID 11172199

IUPAC2-(4-fluoro-3-phenoxyphenyl)acetonitrile
SMILESN#CCc1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C14H10FNO/c15-13-7-6-11(8-9-16)10-14(13)17-12-4-2-1-3-5-12/h1-7,10H,8H2
InChIKeyJADDABQOUIUZPS-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-fluoro-3-phenoxyphenyl)acetonitrile

2-(4-fluoro-3-phenoxyphenyl)acetonitrile (PubChem CID 11172199) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(4-fluoro-3-phenoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-3-phenoxyphenyl)acetonitrile
PubChem CID11172199
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name2-(4-fluoro-3-phenoxyphenyl)acetonitrile
SMILESN#CCc1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C14H10FNO/c15-13-7-6-11(8-9-16)10-14(13)17-12-4-2-1-3-5-12/h1-7,10H,8H2
InChIKeyJADDABQOUIUZPS-UHFFFAOYSA-N
XLogP3.68
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile
CID 54234925
2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile
CID 54073521
2-[3-(3-bromophenoxy)-4-fluorophenyl]acetonitrile
CID 18456835
2-(4-fluoro-3-pyridin-2-yloxyphenyl)acetonitrile
CID 54472128
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
1-fluoro-2-phenoxy-4-prop-2-enylbenzene
CID 11075159
(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium
CID 19754847
2-[3-[(2,6-dimethylphenyl)methoxy]-4-fluorophenyl]acetonitrile
CID 66874991
4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile
CID 43657432
2-[3-[4-(cyanomethyl)-2-methoxyphenoxy]phenyl]acetonitrile
CID 139463123
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
methyl 4-(4-fluoro-3-phenoxyphenyl)butanoate
CID 150135778

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-phenoxyphenyl)acetonitrile?
The IUPAC name of 2-(4-fluoro-3-phenoxyphenyl)acetonitrile (CID 11172199) is 2-(4-fluoro-3-phenoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(4-fluoro-3-phenoxyphenyl)acetonitrile?
The canonical SMILES for 2-(4-fluoro-3-phenoxyphenyl)acetonitrile is N#CCc1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of 2-(4-fluoro-3-phenoxyphenyl)acetonitrile?
The InChIKey is JADDABQOUIUZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c15-13-7-6-11(8-9-16)10-14(13)17-12-4-2-1-3-5-12/h1-7,10H,8H2.
What are the key properties of 2-(4-fluoro-3-phenoxyphenyl)acetonitrile?
2-(4-fluoro-3-phenoxyphenyl)acetonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.68, 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-phenoxyphenyl)acetonitrile is sourced from PubChem (CID 11172199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).