2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene

C19H26F2 — CID 67859215

IUPAC2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(C=CF)c(F)c2)CC1
InChIInChI=1S/C19H26F2/c1-2-3-4-5-15-6-8-16(9-7-15)18-11-10-17(12-13-20)19(21)14-18/h10-16H,2-9H2,1H3
InChIKeyQBPIDTMGRMMZER-UHFFFAOYSA-N
MW292.41 g/mol
LogP6.62
Rot. Bonds6

About 2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene

2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene (PubChem CID 67859215) has the molecular formula C19H26F2 and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene
PubChem CID67859215
Molecular FormulaC19H26F2
Molecular Weight292.41 g/mol
Exact Mass292.20
IUPAC Name2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(C=CF)c(F)c2)CC1
InChIInChI=1S/C19H26F2/c1-2-3-4-5-15-6-8-16(9-7-15)18-11-10-17(12-13-20)19(21)14-18/h10-16H,2-9H2,1H3
InChIKeyQBPIDTMGRMMZER-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.41
LogP ≤ 56.62
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

2-fluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-1-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247524
4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene
CID 19842847
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene
CID 67806781
2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418
1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
CID 19781015
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene?
The IUPAC name of 2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene (CID 67859215) is 2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene.
What is the SMILES notation for 2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene?
The canonical SMILES for 2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene is CCCCCC1CCC(c2ccc(C=CF)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene?
The InChIKey is QBPIDTMGRMMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2/c1-2-3-4-5-15-6-8-16(9-7-15)18-11-10-17(12-13-20)19(21)14-18/h10-16H,2-9H2,1H3.
What are the key properties of 2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene?
2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene has a molecular weight of 292.41 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene is sourced from PubChem (CID 67859215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).