2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene

C24H35F — CID 70498877

IUPAC2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCCCCCC1CCC(C2CC=C(c3ccc(C)c(F)c3)CC2)CC1
InChIInChI=1S/C24H35F/c1-3-4-5-6-19-8-11-20(12-9-19)21-13-15-22(16-14-21)23-10-7-18(2)24(25)17-23/h7,10,15,17,19-21H,3-6,8-9,11-14,16H2,1-2H3
InChIKeyLQJICQKSCHKDKH-UHFFFAOYSA-N
MW342.54 g/mol
LogP7.70
Rot. Bonds6

About 2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene

2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene (PubChem CID 70498877) has the molecular formula C24H35F and a molecular weight of 342.54 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
PubChem CID70498877
Molecular FormulaC24H35F
Molecular Weight342.54 g/mol
Exact Mass342.27
IUPAC Name2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCCCCCC1CCC(C2CC=C(c3ccc(C)c(F)c3)CC2)CC1
InChIInChI=1S/C24H35F/c1-3-4-5-6-19-8-11-20(12-9-19)21-13-15-22(16-14-21)23-10-7-18(2)24(25)17-23/h7,10,15,17,19-21H,3-6,8-9,11-14,16H2,1-2H3
InChIKeyLQJICQKSCHKDKH-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.54
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
CID 102396639
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethyl)benzene
CID 139779196
4-[4-(4-dodecylcyclohexyl)cyclohexen-1-yl]-2-fluoro-1-(trifluoromethyl)benzene
CID 139779202
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-hexylbenzene
CID 67738933
1-butyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738932
1-decyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738918
pentakis(4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]benzenethiol);pentahydrofluoride
CID 173376232
1-ethoxy-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738953
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methylbenzene
CID 18647719
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-pentoxybenzene
CID 67738967

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene (CID 70498877) is 2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene is CCCCCC1CCC(C2CC=C(c3ccc(C)c(F)c3)CC2)CC1.
What is the InChIKey of 2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene?
The InChIKey is LQJICQKSCHKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F/c1-3-4-5-6-19-8-11-20(12-9-19)21-13-15-22(16-14-21)23-10-7-18(2)24(25)17-23/h7,10,15,17,19-21H,3-6,8-9,11-14,16H2,1-2H3.
What are the key properties of 2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene?
2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene has a molecular weight of 342.54 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 70498877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).