4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile

C23H24FN — CID 163272794

IUPAC4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile
SMILESCc1cc(-c2ccc(C3CCC(C4CC4)CC3)cc2)cc(F)c1C#N
InChIInChI=1S/C23H24FN/c1-15-12-21(13-23(24)22(15)14-25)20-10-8-19(9-11-20)18-6-4-17(5-7-18)16-2-3-16/h8-13,16-18H,2-7H2,1H3
InChIKeyGTHPQFYXXBQHMI-UHFFFAOYSA-N
MW333.45 g/mol
LogP6.36
Rot. Bonds3

About 4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile

4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile (PubChem CID 163272794) has the molecular formula C23H24FN and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile.

Molecular Properties

Compound Name4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile
PubChem CID163272794
Molecular FormulaC23H24FN
Molecular Weight333.45 g/mol
Exact Mass333.19
IUPAC Name4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile
SMILESCc1cc(-c2ccc(C3CCC(C4CC4)CC3)cc2)cc(F)c1C#N
InChIInChI=1S/C23H24FN/c1-15-12-21(13-23(24)22(15)14-25)20-10-8-19(9-11-20)18-6-4-17(5-7-18)16-2-3-16/h8-13,16-18H,2-7H2,1H3
InChIKeyGTHPQFYXXBQHMI-UHFFFAOYSA-N
XLogP6.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.45
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile?
The IUPAC name of 4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile (CID 163272794) is 4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile.
What is the SMILES notation for 4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile?
The canonical SMILES for 4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile is Cc1cc(-c2ccc(C3CCC(C4CC4)CC3)cc2)cc(F)c1C#N.
What is the InChIKey of 4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile?
The InChIKey is GTHPQFYXXBQHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN/c1-15-12-21(13-23(24)22(15)14-25)20-10-8-19(9-11-20)18-6-4-17(5-7-18)16-2-3-16/h8-13,16-18H,2-7H2,1H3.
What are the key properties of 4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile?
4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile has a molecular weight of 333.45 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile is sourced from PubChem (CID 163272794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).