4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile

C15H18FNS — CID 43293072

IUPAC4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Sc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNS/c1-2-11-3-4-12(10-17)15(9-11)18-14-7-5-13(16)6-8-14/h5-8,11-12,15H,2-4,9H2,1H3
InChIKeyHEGVJNSKDZGJNX-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.64
Rot. Bonds3

About 4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile

4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile (PubChem CID 43293072) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile
PubChem CID43293072
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Sc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNS/c1-2-11-3-4-12(10-17)15(9-11)18-14-7-5-13(16)6-8-14/h5-8,11-12,15H,2-4,9H2,1H3
InChIKeyHEGVJNSKDZGJNX-UHFFFAOYSA-N
XLogP4.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile (CID 43293072) is 4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile is CCC1CCC(C#N)C(Sc2ccc(F)cc2)C1.
What is the InChIKey of 4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile?
The InChIKey is HEGVJNSKDZGJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-2-11-3-4-12(10-17)15(9-11)18-14-7-5-13(16)6-8-14/h5-8,11-12,15H,2-4,9H2,1H3.
What are the key properties of 4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile?
4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile has a molecular weight of 263.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluorophenyl)sulfanylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43293072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).