2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene

C31H44F2 — CID 145488932

IUPAC2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene
SMILESC=C.Cc1ccc(F)cc1CCC1CCCC1.Cc1ccc(F)cc1CCC1CCCCC1
InChIInChI=1S/C15H21F.C14H19F.C2H4/c1-12-7-10-15(16)11-14(12)9-8-13-5-3-2-4-6-13;1-11-6-9-14(15)10-13(11)8-7-12-4-2-3-5-12;1-2/h7,10-11,13H,2-6,8-9H2,1H3;6,9-10,12H,2-5,7-8H2,1H3;1-2H2
InChIKeySVVBQXORBUDBEV-UHFFFAOYSA-N
MW454.69 g/mol
LogP9.71
Rot. Bonds6

About 2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene

2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene (PubChem CID 145488932) has the molecular formula C31H44F2 and a molecular weight of 454.69 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene
PubChem CID145488932
Molecular FormulaC31H44F2
Molecular Weight454.69 g/mol
Exact Mass454.34
IUPAC Name2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene
SMILESC=C.Cc1ccc(F)cc1CCC1CCCC1.Cc1ccc(F)cc1CCC1CCCCC1
InChIInChI=1S/C15H21F.C14H19F.C2H4/c1-12-7-10-15(16)11-14(12)9-8-13-5-3-2-4-6-13;1-11-6-9-14(15)10-13(11)8-7-12-4-2-3-5-12;1-2/h7,10-11,13H,2-6,8-9H2,1H3;6,9-10,12H,2-5,7-8H2,1H3;1-2H2
InChIKeySVVBQXORBUDBEV-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.69
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

O-Terphenyl
CID 6766
Triphenylmethane
CID 10614
(Phenylmethyl)-1,1'-biphenyl
CID 169283
2,4,6-Triphenyl-1-hexene
CID 177033
Dimethyl(1-phenylethyl)benzene
CID 3033855
1,1,2-Triphenylethane
CID 137054
Benzene, 1,1'-(phenylmethylene)bis[methyl-
CID 105960
1-Phenyl-1,2,3,4-tetrahydronaphthalene
CID 18178
1-Methyl-3-phenylindane
CID 22924
1,1'-Biphenyl, 2,2'-diethyl-
CID 83081
2,2'-Dimethylbibenzyl
CID 136769
1-Methyl-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]benzene
CID 576378

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene?
The IUPAC name of 2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene (CID 145488932) is 2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene.
What is the SMILES notation for 2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene?
The canonical SMILES for 2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene is C=C.Cc1ccc(F)cc1CCC1CCCC1.Cc1ccc(F)cc1CCC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene?
The InChIKey is SVVBQXORBUDBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F.C14H19F.C2H4/c1-12-7-10-15(16)11-14(12)9-8-13-5-3-2-4-6-13;1-11-6-9-14(15)10-13(11)8-7-12-4-2-3-5-12;1-2/h7,10-11,13H,2-6,8-9H2,1H3;6,9-10,12H,2-5,7-8H2,1H3;1-2H2.
What are the key properties of 2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene?
2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene has a molecular weight of 454.69 g/mol, XLogP of 9.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene is sourced from PubChem (CID 145488932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).