1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane

C25H43F — CID 19695298

IUPAC1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C3CCC(/C=C/CCF)CC3)CC2)CC1
InChIInChI=1S/C25H43F/c1-2-5-20-7-11-22(12-8-20)24-15-17-25(18-16-24)23-13-9-21(10-14-23)6-3-4-19-26/h3,6,20-25H,2,4-5,7-19H2,1H3/b6-3+
InChIKeyDMNZOBYORIPWSU-ZZXKWVIFSA-N
MW362.62 g/mol
LogP8.12
Rot. Bonds7

About 1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane

1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 19695298) has the molecular formula C25H43F and a molecular weight of 362.62 g/mol. Its IUPAC name is 1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
PubChem CID19695298
Molecular FormulaC25H43F
Molecular Weight362.62 g/mol
Exact Mass362.33
IUPAC Name1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C3CCC(/C=C/CCF)CC3)CC2)CC1
InChIInChI=1S/C25H43F/c1-2-5-20-7-11-22(12-8-20)24-15-17-25(18-16-24)23-13-9-21(10-14-23)6-3-4-19-26/h3,6,20-25H,2,4-5,7-19H2,1H3/b6-3+
InChIKeyDMNZOBYORIPWSU-ZZXKWVIFSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.62
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane (CID 19695298) is 1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(C3CCC(/C=C/CCF)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is DMNZOBYORIPWSU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C25H43F/c1-2-5-20-7-11-22(12-8-20)24-15-17-25(18-16-24)23-13-9-21(10-14-23)6-3-4-19-26/h3,6,20-25H,2,4-5,7-19H2,1H3/b6-3+.
What are the key properties of 1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 362.62 g/mol, XLogP of 8.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 19695298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).