4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile

C16H14FN — CID 143636725

IUPAC4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile
SMILESCCc1c(C)cccc1-c1ccc(C#N)c(F)c1
InChIInChI=1S/C16H14FN/c1-3-14-11(2)5-4-6-15(14)12-7-8-13(10-18)16(17)9-12/h4-9H,3H2,1-2H3
InChIKeyPQEOSHKOPCZXQP-UHFFFAOYSA-N
MW239.29 g/mol
LogP4.24
Rot. Bonds2

About 4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile

4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile (PubChem CID 143636725) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile
PubChem CID143636725
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile
SMILESCCc1c(C)cccc1-c1ccc(C#N)c(F)c1
InChIInChI=1S/C16H14FN/c1-3-14-11(2)5-4-6-15(14)12-7-8-13(10-18)16(17)9-12/h4-9H,3H2,1-2H3
InChIKeyPQEOSHKOPCZXQP-UHFFFAOYSA-N
XLogP4.24
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile?
The IUPAC name of 4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile (CID 143636725) is 4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile is CCc1c(C)cccc1-c1ccc(C#N)c(F)c1.
What is the InChIKey of 4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile?
The InChIKey is PQEOSHKOPCZXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-3-14-11(2)5-4-6-15(14)12-7-8-13(10-18)16(17)9-12/h4-9H,3H2,1-2H3.
What are the key properties of 4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile?
4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile has a molecular weight of 239.29 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3-methylphenyl)-2-fluorobenzonitrile is sourced from PubChem (CID 143636725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).