1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene

C23H34F2 — CID 59257451

IUPAC1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H34F2/c1-3-5-20-14-15-21(23(25)22(20)24)19-12-10-18(11-13-19)17-8-6-16(4-2)7-9-17/h14-19H,3-13H2,1-2H3
InChIKeyMWUFPGOLCXDBOP-UHFFFAOYSA-N
MW348.52 g/mol
LogP7.41
Rot. Bonds5

About 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene

1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene (PubChem CID 59257451) has the molecular formula C23H34F2 and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
PubChem CID59257451
Molecular FormulaC23H34F2
Molecular Weight348.52 g/mol
Exact Mass348.26
IUPAC Name1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H34F2/c1-3-5-20-14-15-21(23(25)22(20)24)19-12-10-18(11-13-19)17-8-6-16(4-2)7-9-17/h14-19H,3-13H2,1-2H3
InChIKeyMWUFPGOLCXDBOP-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene?
The IUPAC name of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene (CID 59257451) is 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene.
What is the SMILES notation for 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene?
The canonical SMILES for 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene is CCCc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene?
The InChIKey is MWUFPGOLCXDBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2/c1-3-5-20-14-15-21(23(25)22(20)24)19-12-10-18(11-13-19)17-8-6-16(4-2)7-9-17/h14-19H,3-13H2,1-2H3.
What are the key properties of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene?
1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene has a molecular weight of 348.52 g/mol, XLogP of 7.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene is sourced from PubChem (CID 59257451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).