2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene

C19H28F2 — CID 20663566

IUPAC2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene
SMILESCc1ccc(C2CCC(CCCCCCF)CC2)cc1F
InChIInChI=1S/C19H28F2/c1-15-7-10-18(14-19(15)21)17-11-8-16(9-12-17)6-4-2-3-5-13-20/h7,10,14,16-17H,2-6,8-9,11-13H2,1H3
InChIKeyMDCKGCYUXVOEIM-UHFFFAOYSA-N
MW294.43 g/mol
LogP6.33
Rot. Bonds7

About 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene

2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene (PubChem CID 20663566) has the molecular formula C19H28F2 and a molecular weight of 294.43 g/mol. Its IUPAC name is 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene
PubChem CID20663566
Molecular FormulaC19H28F2
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene
SMILESCc1ccc(C2CCC(CCCCCCF)CC2)cc1F
InChIInChI=1S/C19H28F2/c1-15-7-10-18(14-19(15)21)17-11-8-16(9-12-17)6-4-2-3-5-13-20/h7,10,14,16-17H,2-6,8-9,11-13H2,1H3
InChIKeyMDCKGCYUXVOEIM-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-difluoro-5-[4-(6-fluorohexyl)cyclohexyl]-2-methylbenzene
CID 20663462
2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
[4-(3-fluoro-4-methylphenyl)cyclohexyl]methylsilane
CID 137329605
1,3-difluoro-5-[4-(7-fluoroheptyl)cyclohexyl]benzene
CID 20663479
1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene
CID 20663504
4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene
CID 54260126
2-fluoro-1-[4-(10-fluorodecyl)cyclohexyl]-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 21265179
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
CID 20663586
CID 20663586
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene?
The IUPAC name of 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene (CID 20663566) is 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene.
What is the SMILES notation for 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene?
The canonical SMILES for 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene is Cc1ccc(C2CCC(CCCCCCF)CC2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene?
The InChIKey is MDCKGCYUXVOEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2/c1-15-7-10-18(14-19(15)21)17-11-8-16(9-12-17)6-4-2-3-5-13-20/h7,10,14,16-17H,2-6,8-9,11-13H2,1H3.
What are the key properties of 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene?
2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene has a molecular weight of 294.43 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene is sourced from PubChem (CID 20663566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).