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

C20H22F2 — CID 67806520

IUPAC1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
SMILESCCC1CCC(c2ccc(-c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C20H22F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)19-12-11-18(21)13-20(19)22/h7-15H,2-6H2,1H3
InChIKeyAQOPLWBFDYAABB-UHFFFAOYSA-N
MW300.39 g/mol
LogP6.32
Rot. Bonds3

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

1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene (PubChem CID 67806520) has the molecular formula C20H22F2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
PubChem CID67806520
Molecular FormulaC20H22F2
Molecular Weight300.39 g/mol
Exact Mass300.17
IUPAC Name1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
SMILESCCC1CCC(c2ccc(-c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C20H22F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)19-12-11-18(21)13-20(19)22/h7-15H,2-6H2,1H3
InChIKeyAQOPLWBFDYAABB-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene
CID 23364832
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
5-[4-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 88998813
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
tris(4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-methylphenyl)benzene);tris(4-[4-(4-ethylcyclohexyl)phenyl]-2-fluoro-1-(4-methylphenyl)benzene);bis(2-fluoro-1-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene)
CID 160613322
tris(4-(4-butylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);bis(4-(4-ethylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-pentylcyclohexyl)benzene);bis(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene);methane
CID 157086367
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
CID 139951917
2-[3,5-difluoro-4-(1,1,1-trifluoropropan-2-yl)phenyl]-5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,3-difluorobenzene
CID 89134784
1-[4-(4-butylcyclohexyl)phenyl]-2,4,5-trifluorobenzene
CID 67805684
1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 175685460

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene?
The IUPAC name of 1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene (CID 67806520) is 1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene is CCC1CCC(c2ccc(-c3ccc(F)cc3F)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene?
The InChIKey is AQOPLWBFDYAABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)19-12-11-18(21)13-20(19)22/h7-15H,2-6H2,1H3.
What are the key properties of 1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene?
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene has a molecular weight of 300.39 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene is sourced from PubChem (CID 67806520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).