4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile

C20H32FN — CID 19695180

IUPAC4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(C2CCC(CC/C=C/CCCF)CC2)CC1
InChIInChI=1S/C20H32FN/c21-15-5-3-1-2-4-6-17-7-11-19(12-8-17)20-13-9-18(16-22)10-14-20/h1-2,17-20H,3-15H2/b2-1+
InChIKeyMUFSTKMKVYGRJN-OWOJBTEDSA-N
MW305.48 g/mol
LogP6.21
Rot. Bonds7

About 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile

4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile (PubChem CID 19695180) has the molecular formula C20H32FN and a molecular weight of 305.48 g/mol. Its IUPAC name is 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile
PubChem CID19695180
Molecular FormulaC20H32FN
Molecular Weight305.48 g/mol
Exact Mass305.25
IUPAC Name4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(C2CCC(CC/C=C/CCCF)CC2)CC1
InChIInChI=1S/C20H32FN/c21-15-5-3-1-2-4-6-17-7-11-19(12-8-17)20-13-9-18(16-22)10-14-20/h1-2,17-20H,3-15H2/b2-1+
InChIKeyMUFSTKMKVYGRJN-OWOJBTEDSA-N
XLogP6.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.48
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile (CID 19695180) is 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile is N#CC1CCC(C2CCC(CC/C=C/CCCF)CC2)CC1.
What is the InChIKey of 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile?
The InChIKey is MUFSTKMKVYGRJN-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H32FN/c21-15-5-3-1-2-4-6-17-7-11-19(12-8-17)20-13-9-18(16-22)10-14-20/h1-2,17-20H,3-15H2/b2-1+.
What are the key properties of 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile?
4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile has a molecular weight of 305.48 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 19695180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).