1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane

C27H47F — CID 19695265

IUPAC1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C3CCC(CC/C=C/CCF)CC3)CC2)CC1
InChIInChI=1S/C27H47F/c1-2-7-22-9-13-24(14-10-22)26-17-19-27(20-18-26)25-15-11-23(12-16-25)8-5-3-4-6-21-28/h3-4,22-27H,2,5-21H2,1H3/b4-3+
InChIKeyBMAPDZYROULKOV-ONEGZZNKSA-N
MW390.67 g/mol
LogP8.90
Rot. Bonds9

About 1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane

1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 19695265) has the molecular formula C27H47F and a molecular weight of 390.67 g/mol. Its IUPAC name is 1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
PubChem CID19695265
Molecular FormulaC27H47F
Molecular Weight390.67 g/mol
Exact Mass390.37
IUPAC Name1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C3CCC(CC/C=C/CCF)CC3)CC2)CC1
InChIInChI=1S/C27H47F/c1-2-7-22-9-13-24(14-10-22)26-17-19-27(20-18-26)25-15-11-23(12-16-25)8-5-3-4-6-21-28/h3-4,22-27H,2,5-21H2,1H3/b4-3+
InChIKeyBMAPDZYROULKOV-ONEGZZNKSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.67
LogP ≤ 58.90
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)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane (CID 19695265) is 1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(C3CCC(CC/C=C/CCF)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is BMAPDZYROULKOV-ONEGZZNKSA-N. The full InChI is InChI=1S/C27H47F/c1-2-7-22-9-13-24(14-10-22)26-17-19-27(20-18-26)25-15-11-23(12-16-25)8-5-3-4-6-21-28/h3-4,22-27H,2,5-21H2,1H3/b4-3+.
What are the key properties of 1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 390.67 g/mol, XLogP of 8.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 19695265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).