2-(4-ethylphenoxy)-6-fluorobenzonitrile

C15H12FNO — CID 52855348

IUPAC2-(4-ethylphenoxy)-6-fluorobenzonitrile
SMILESCCc1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C15H12FNO/c1-2-11-6-8-12(9-7-11)18-15-5-3-4-14(16)13(15)10-17/h3-9H,2H2,1H3
InChIKeyJBKUKDUPFJVMCW-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-ethylphenoxy)-6-fluorobenzonitrile

2-(4-ethylphenoxy)-6-fluorobenzonitrile (PubChem CID 52855348) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-6-fluorobenzonitrile
PubChem CID52855348
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name2-(4-ethylphenoxy)-6-fluorobenzonitrile
SMILESCCc1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C15H12FNO/c1-2-11-6-8-12(9-7-11)18-15-5-3-4-14(16)13(15)10-17/h3-9H,2H2,1H3
InChIKeyJBKUKDUPFJVMCW-UHFFFAOYSA-N
XLogP4.05
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128
2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 43609103
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-[3-(chloromethyl)phenoxy]-6-fluorobenzonitrile
CID 112594505
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052
2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
CID 79512940
2-[4-(bromomethyl)-2-methylphenoxy]-6-fluorobenzonitrile
CID 107087791

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-ethylphenoxy)-6-fluorobenzonitrile (CID 52855348) is 2-(4-ethylphenoxy)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-ethylphenoxy)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-ethylphenoxy)-6-fluorobenzonitrile is CCc1ccc(Oc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-6-fluorobenzonitrile?
The InChIKey is JBKUKDUPFJVMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-2-11-6-8-12(9-7-11)18-15-5-3-4-14(16)13(15)10-17/h3-9H,2H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)-6-fluorobenzonitrile?
2-(4-ethylphenoxy)-6-fluorobenzonitrile has a molecular weight of 241.26 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-6-fluorobenzonitrile is sourced from PubChem (CID 52855348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).