1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene

C23H35F — CID 12064703

IUPAC1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCC1CCC(CCC2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C23H35F/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h14-21H,2-13H2,1H3
InChIKeyWQYLIZKSPNCLRH-UHFFFAOYSA-N
MW330.53 g/mol
LogP7.49
Rot. Bonds6

About 1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene

1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene (PubChem CID 12064703) has the molecular formula C23H35F and a molecular weight of 330.53 g/mol. Its IUPAC name is 1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
PubChem CID12064703
Molecular FormulaC23H35F
Molecular Weight330.53 g/mol
Exact Mass330.27
IUPAC Name1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCC1CCC(CCC2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C23H35F/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h14-21H,2-13H2,1H3
InChIKeyWQYLIZKSPNCLRH-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.53
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene (CID 12064703) is 1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene is CCCC1CCC(CCC2CCC(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The InChIKey is WQYLIZKSPNCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h14-21H,2-13H2,1H3.
What are the key properties of 1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene has a molecular weight of 330.53 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene is sourced from PubChem (CID 12064703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).