1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane

C26H45F — CID 54243786

IUPAC1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(CCCC=CCCF)CC3)CC2)CC1
InChIInChI=1S/C26H45F/c1-21-8-12-23(13-9-21)25-16-18-26(19-17-25)24-14-10-22(11-15-24)7-5-3-2-4-6-20-27/h2,4,21-26H,3,5-20H2,1H3
InChIKeyQRVHLUQNVRSWAY-UHFFFAOYSA-N
MW376.64 g/mol
LogP8.51
Rot. Bonds8

About 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane

1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 54243786) has the molecular formula C26H45F and a molecular weight of 376.64 g/mol. Its IUPAC name is 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
PubChem CID54243786
Molecular FormulaC26H45F
Molecular Weight376.64 g/mol
Exact Mass376.35
IUPAC Name1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(CCCC=CCCF)CC3)CC2)CC1
InChIInChI=1S/C26H45F/c1-21-8-12-23(13-9-21)25-16-18-26(19-17-25)24-14-10-22(11-15-24)7-5-3-2-4-6-20-27/h2,4,21-26H,3,5-20H2,1H3
InChIKeyQRVHLUQNVRSWAY-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.64
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-fluoropropyl)-4-methylcyclohexane
CID 166888842
1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 54464983
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1,2,3-trifluoro-5-[4-[4-[(E)-oct-4-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589726
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695446
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
3-[4-(4-methylcyclohexyl)cyclohexyl]propanal
CID 172757928
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene
CID 54557807

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane (CID 54243786) is 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(C3CCC(CCCC=CCCF)CC3)CC2)CC1.
What is the InChIKey of 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is QRVHLUQNVRSWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45F/c1-21-8-12-23(13-9-21)25-16-18-26(19-17-25)24-14-10-22(11-15-24)7-5-3-2-4-6-20-27/h2,4,21-26H,3,5-20H2,1H3.
What are the key properties of 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane?
1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 376.64 g/mol, XLogP of 8.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 54243786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).