3-(4-ethylcyclohexyl)-5-fluorobenzonitrile

C15H18FN — CID 67710853

IUPAC3-(4-ethylcyclohexyl)-5-fluorobenzonitrile
SMILESCCC1CCC(c2cc(F)cc(C#N)c2)CC1
InChIInChI=1S/C15H18FN/c1-2-11-3-5-13(6-4-11)14-7-12(10-17)8-15(16)9-14/h7-9,11,13H,2-6H2,1H3
InChIKeySZEUTQDWPZRANC-UHFFFAOYSA-N
MW231.31 g/mol
LogP4.38
Rot. Bonds2

About 3-(4-ethylcyclohexyl)-5-fluorobenzonitrile

3-(4-ethylcyclohexyl)-5-fluorobenzonitrile (PubChem CID 67710853) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)-5-fluorobenzonitrile
PubChem CID67710853
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name3-(4-ethylcyclohexyl)-5-fluorobenzonitrile
SMILESCCC1CCC(c2cc(F)cc(C#N)c2)CC1
InChIInChI=1S/C15H18FN/c1-2-11-3-5-13(6-4-11)14-7-12(10-17)8-15(16)9-14/h7-9,11,13H,2-6H2,1H3
InChIKeySZEUTQDWPZRANC-UHFFFAOYSA-N
XLogP4.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)-5-fluorobenzonitrile?
The IUPAC name of 3-(4-ethylcyclohexyl)-5-fluorobenzonitrile (CID 67710853) is 3-(4-ethylcyclohexyl)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(4-ethylcyclohexyl)-5-fluorobenzonitrile?
The canonical SMILES for 3-(4-ethylcyclohexyl)-5-fluorobenzonitrile is CCC1CCC(c2cc(F)cc(C#N)c2)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)-5-fluorobenzonitrile?
The InChIKey is SZEUTQDWPZRANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-2-11-3-5-13(6-4-11)14-7-12(10-17)8-15(16)9-14/h7-9,11,13H,2-6H2,1H3.
What are the key properties of 3-(4-ethylcyclohexyl)-5-fluorobenzonitrile?
3-(4-ethylcyclohexyl)-5-fluorobenzonitrile has a molecular weight of 231.31 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)-5-fluorobenzonitrile is sourced from PubChem (CID 67710853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).