1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene

C20H23F — CID 139911152

IUPAC1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
SMILESCCC1CCC(c2ccc(-c3ccccc3F)cc2)CC1
InChIInChI=1S/C20H23F/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-5-3-4-6-20(19)21/h3-6,11-16H,2,7-10H2,1H3
InChIKeyNGBZUAXNXITTNL-UHFFFAOYSA-N
MW282.40 g/mol
LogP6.18
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene

1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene (PubChem CID 139911152) has the molecular formula C20H23F and a molecular weight of 282.40 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
PubChem CID139911152
Molecular FormulaC20H23F
Molecular Weight282.40 g/mol
Exact Mass282.18
IUPAC Name1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
SMILESCCC1CCC(c2ccc(-c3ccccc3F)cc2)CC1
InChIInChI=1S/C20H23F/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-5-3-4-6-20(19)21/h3-6,11-16H,2,7-10H2,1H3
InChIKeyNGBZUAXNXITTNL-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.40
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 139911116
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene
CID 167219024
5-[4-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 88998813
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
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
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
(4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 7030550
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene (CID 139911152) is 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene is CCC1CCC(c2ccc(-c3ccccc3F)cc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene?
The InChIKey is NGBZUAXNXITTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-5-3-4-6-20(19)21/h3-6,11-16H,2,7-10H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene?
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene has a molecular weight of 282.40 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene is sourced from PubChem (CID 139911152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).