4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile

C19H30FN — CID 71053835

IUPAC4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(C2CCC(C3CCCCC3)C(F)C2)CC1
InChIInChI=1S/C19H30FN/c20-19-12-17(15-8-6-14(13-21)7-9-15)10-11-18(19)16-4-2-1-3-5-16/h14-19H,1-12H2
InChIKeyFGIPKOPISXZCNG-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.65
Rot. Bonds2

About 4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile

4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile (PubChem CID 71053835) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is 4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile
PubChem CID71053835
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(C2CCC(C3CCCCC3)C(F)C2)CC1
InChIInChI=1S/C19H30FN/c20-19-12-17(15-8-6-14(13-21)7-9-15)10-11-18(19)16-4-2-1-3-5-16/h14-19H,1-12H2
InChIKeyFGIPKOPISXZCNG-UHFFFAOYSA-N
XLogP5.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile (CID 71053835) is 4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile is N#CC1CCC(C2CCC(C3CCCCC3)C(F)C2)CC1.
What is the InChIKey of 4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile?
The InChIKey is FGIPKOPISXZCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c20-19-12-17(15-8-6-14(13-21)7-9-15)10-11-18(19)16-4-2-1-3-5-16/h14-19H,1-12H2.
What are the key properties of 4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile?
4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile has a molecular weight of 291.45 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-3-fluorocyclohexyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 71053835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).