4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile

C15H9FN2O — CID 43657432

IUPAC4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile
SMILESN#CCc1ccc(Oc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C15H9FN2O/c16-14-9-12(10-18)3-6-15(14)19-13-4-1-11(2-5-13)7-8-17/h1-6,9H,7H2
InChIKeyGDHFYLALSSLBRP-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.56
Rot. Bonds3

About 4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile

4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile (PubChem CID 43657432) has the molecular formula C15H9FN2O and a molecular weight of 252.25 g/mol. Its IUPAC name is 4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile
PubChem CID43657432
Molecular FormulaC15H9FN2O
Molecular Weight252.25 g/mol
Exact Mass252.07
IUPAC Name4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile
SMILESN#CCc1ccc(Oc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C15H9FN2O/c16-14-9-12(10-18)3-6-15(14)19-13-4-1-11(2-5-13)7-8-17/h1-6,9H,7H2
InChIKeyGDHFYLALSSLBRP-UHFFFAOYSA-N
XLogP3.56
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-aminoethyl)phenoxy]-3-fluorobenzonitrile
CID 65362371
3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]benzonitrile
CID 43657444
4-(3,4-diaminophenoxy)-3-fluorobenzonitrile
CID 107670075
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766
4-(4-cyano-2-fluorophenoxy)benzamide
CID 43657479
3-fluoro-4-[4-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666062
4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 28876598
4-[3-(chloromethyl)-5-fluorophenoxy]-3-fluorobenzonitrile
CID 107666281
2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile
CID 54234925
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile
CID 54073521
3-fluoro-4-[(2-fluoro-4-pyridinyl)oxy]benzonitrile
CID 107664694

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile (CID 43657432) is 4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile is N#CCc1ccc(Oc2ccc(C#N)cc2F)cc1.
What is the InChIKey of 4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile?
The InChIKey is GDHFYLALSSLBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O/c16-14-9-12(10-18)3-6-15(14)19-13-4-1-11(2-5-13)7-8-17/h1-6,9H,7H2.
What are the key properties of 4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile?
4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile has a molecular weight of 252.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 43657432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).