1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane

C28H50F2 — CID 19352365

IUPAC1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane
SMILESFCCCCCC1CCC(C2CCC(CCC3CCC(CCCF)CC3)CC2)CC1
InChIInChI=1S/C28H50F2/c29-21-3-1-2-5-23-13-17-27(18-14-23)28-19-15-26(16-20-28)12-11-25-9-7-24(8-10-25)6-4-22-30/h23-28H,1-22H2
InChIKeyJAZATFARZFUEJZ-UHFFFAOYSA-N
MW424.70 g/mol
LogP9.47
Rot. Bonds12

About 1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane

1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 19352365) has the molecular formula C28H50F2 and a molecular weight of 424.70 g/mol. Its IUPAC name is 1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane
PubChem CID19352365
Molecular FormulaC28H50F2
Molecular Weight424.70 g/mol
Exact Mass424.39
IUPAC Name1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane
SMILESFCCCCCC1CCC(C2CCC(CCC3CCC(CCCF)CC3)CC2)CC1
InChIInChI=1S/C28H50F2/c29-21-3-1-2-5-23-13-17-27(18-14-23)28-19-15-26(16-20-28)12-11-25-9-7-24(8-10-25)6-4-22-30/h23-28H,1-22H2
InChIKeyJAZATFARZFUEJZ-UHFFFAOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 59.47
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-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane (CID 19352365) is 1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane is FCCCCCC1CCC(C2CCC(CCC3CCC(CCCF)CC3)CC2)CC1.
What is the InChIKey of 1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is JAZATFARZFUEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50F2/c29-21-3-1-2-5-23-13-17-27(18-14-23)28-19-15-26(16-20-28)12-11-25-9-7-24(8-10-25)6-4-22-30/h23-28H,1-22H2.
What are the key properties of 1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane?
1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 424.70 g/mol, XLogP of 9.47, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoropentyl)cyclohexyl]-4-[2-[4-(3-fluoropropyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19352365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).