1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane

C25H45F — CID 18344055

IUPAC1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1
InChIInChI=1S/C25H45F/c1-2-3-4-5-20-6-10-22(11-7-20)24-14-16-25(17-15-24)23-12-8-21(9-13-23)18-19-26/h20-25H,2-19H2,1H3
InChIKeyVDFWEYLYPAHICP-UHFFFAOYSA-N
MW364.63 g/mol
LogP8.35
Rot. Bonds8

About 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane

1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 18344055) has the molecular formula C25H45F and a molecular weight of 364.63 g/mol. Its IUPAC name is 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID18344055
Molecular FormulaC25H45F
Molecular Weight364.63 g/mol
Exact Mass364.35
IUPAC Name1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1
InChIInChI=1S/C25H45F/c1-2-3-4-5-20-6-10-22(11-7-20)24-14-16-25(17-15-24)23-12-8-21(9-13-23)18-19-26/h20-25H,2-19H2,1H3
InChIKeyVDFWEYLYPAHICP-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.63
LogP ≤ 58.35
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-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane (CID 18344055) is 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1.
What is the InChIKey of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is VDFWEYLYPAHICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45F/c1-2-3-4-5-20-6-10-22(11-7-20)24-14-16-25(17-15-24)23-12-8-21(9-13-23)18-19-26/h20-25H,2-19H2,1H3.
What are the key properties of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane?
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 364.63 g/mol, XLogP of 8.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 18344055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).