4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene

C22H26F2 — CID 14993447

IUPAC4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
SMILESCCC1CCC(CCc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H26F2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h9-17H,2-8H2,1H3
InChIKeyHIYAYZZTEIFLHM-UHFFFAOYSA-N
MW328.45 g/mol
LogP6.78
Rot. Bonds5

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

4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene (PubChem CID 14993447) has the molecular formula C22H26F2 and a molecular weight of 328.45 g/mol. Its IUPAC name is 4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
PubChem CID14993447
Molecular FormulaC22H26F2
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
SMILESCCC1CCC(CCc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H26F2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h9-17H,2-8H2,1H3
InChIKeyHIYAYZZTEIFLHM-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 19419990
CID 19419990
CID 22404137
CID 22404137
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
CID 19992698
4-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 22437537
4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane
CID 22404086
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 20654453
ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane
CID 123749784
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143
CID 23367412
CID 23367412
4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
CID 18984130
1,2,4-trideuterio-3-[2-deuterio-4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-5,6-difluorobenzene
CID 139724412
CID 20632338
CID 20632338

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene (CID 14993447) is 4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene is CCC1CCC(CCc2ccc(-c3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene?
The InChIKey is HIYAYZZTEIFLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h9-17H,2-8H2,1H3.
What are the key properties of 4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene?
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene has a molecular weight of 328.45 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene is sourced from PubChem (CID 14993447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).