1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane

C31H56F2 — CID 19352344

IUPAC1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane
SMILESFCCCCCCC1CCC(CCC2CCC(C3CCC(CCCCCF)CC3)CC2)CC1
InChIInChI=1S/C31H56F2/c32-24-6-2-1-4-8-26-10-12-28(13-11-26)14-15-29-18-22-31(23-19-29)30-20-16-27(17-21-30)9-5-3-7-25-33/h26-31H,1-25H2
InChIKeyFTSAVZSQBJYCPO-UHFFFAOYSA-N
MW466.79 g/mol
LogP10.64
Rot. Bonds15

About 1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane

1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane (PubChem CID 19352344) has the molecular formula C31H56F2 and a molecular weight of 466.79 g/mol. Its IUPAC name is 1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane
PubChem CID19352344
Molecular FormulaC31H56F2
Molecular Weight466.79 g/mol
Exact Mass466.44
IUPAC Name1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane
SMILESFCCCCCCC1CCC(CCC2CCC(C3CCC(CCCCCF)CC3)CC2)CC1
InChIInChI=1S/C31H56F2/c32-24-6-2-1-4-8-26-10-12-28(13-11-26)14-15-29-18-22-31(23-19-29)30-20-16-27(17-21-30)9-5-3-7-25-33/h26-31H,1-25H2
InChIKeyFTSAVZSQBJYCPO-UHFFFAOYSA-N
XLogP10.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.79
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane (CID 19352344) is 1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane is FCCCCCCC1CCC(CCC2CCC(C3CCC(CCCCCF)CC3)CC2)CC1.
What is the InChIKey of 1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane?
The InChIKey is FTSAVZSQBJYCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56F2/c32-24-6-2-1-4-8-26-10-12-28(13-11-26)14-15-29-18-22-31(23-19-29)30-20-16-27(17-21-30)9-5-3-7-25-33/h26-31H,1-25H2.
What are the key properties of 1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane?
1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane has a molecular weight of 466.79 g/mol, XLogP of 10.64, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorohexyl)-4-[2-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19352344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).