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

C24H41F — CID 19695404

IUPAC1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
SMILESCCC1CCC(C2CCC(C3CCC(/C=C/CCF)CC3)CC2)CC1
InChIInChI=1S/C24H41F/c1-2-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-3-4-18-25/h3,5,19-24H,2,4,6-18H2,1H3/b5-3+
InChIKeyCRQRKIPRKPAMOE-HWKANZROSA-N
MW348.59 g/mol
LogP7.73
Rot. Bonds6

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

1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane (PubChem CID 19695404) has the molecular formula C24H41F and a molecular weight of 348.59 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
PubChem CID19695404
Molecular FormulaC24H41F
Molecular Weight348.59 g/mol
Exact Mass348.32
IUPAC Name1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
SMILESCCC1CCC(C2CCC(C3CCC(/C=C/CCF)CC3)CC2)CC1
InChIInChI=1S/C24H41F/c1-2-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-3-4-18-25/h3,5,19-24H,2,4,6-18H2,1H3/b5-3+
InChIKeyCRQRKIPRKPAMOE-HWKANZROSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.59
LogP ≤ 57.73
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-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane (CID 19695404) is 1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane is CCC1CCC(C2CCC(C3CCC(/C=C/CCF)CC3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane?
The InChIKey is CRQRKIPRKPAMOE-HWKANZROSA-N. The full InChI is InChI=1S/C24H41F/c1-2-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-3-4-18-25/h3,5,19-24H,2,4,6-18H2,1H3/b5-3+.
What are the key properties of 1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane?
1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane has a molecular weight of 348.59 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 19695404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).