4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene

C20H28F2 — CID 550421

IUPAC4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
SMILESCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C20H28F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h11-17H,2-10H2,1H3
InChIKeyWDECTZREPSJUQW-UHFFFAOYSA-N
MW306.44 g/mol
LogP6.45
Rot. Bonds3

About 4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene

4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene (PubChem CID 550421) has the molecular formula C20H28F2 and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
PubChem CID550421
Molecular FormulaC20H28F2
Molecular Weight306.44 g/mol
Exact Mass306.22
IUPAC Name4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
SMILESCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C20H28F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h11-17H,2-10H2,1H3
InChIKeyWDECTZREPSJUQW-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.44
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

p-Terphenyl
CID 7115
Curcumene
CID 92139
1,4-Diisopropylbenzene
CID 7486
Cyclohexylbenzene
CID 13229
Triphenylethylene
CID 6025
2-Fluorobiphenyl
CID 67579
Isopropylbiphenyl
CID 20259910
Triphenylmethane
CID 10614
1,1-Diphenylethane
CID 11918
1,1,1-Triphenylethane
CID 78926
Benzene, ethyl(phenylethyl)-, mono-ar-ethyl deriv.
CID 521817
p-Isopropyl-alpha-methylstyrene
CID 16952

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene (CID 550421) is 4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene is CCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The InChIKey is WDECTZREPSJUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h11-17H,2-10H2,1H3.
What are the key properties of 4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene has a molecular weight of 306.44 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene is sourced from PubChem (CID 550421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).