4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene

C20H28F4 — CID 18344291

IUPAC4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene
SMILESCCc1ccc(CC(F)(F)C2CCC(CCCCF)CC2)cc1F
InChIInChI=1S/C20H28F4/c1-2-17-9-6-16(13-19(17)22)14-20(23,24)18-10-7-15(8-11-18)5-3-4-12-21/h6,9,13,15,18H,2-5,7-8,10-12,14H2,1H3
InChIKeyVKXNQWREQUQPSQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP6.51
Rot. Bonds8

About 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene

4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene (PubChem CID 18344291) has the molecular formula C20H28F4 and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene.

Molecular Properties

Compound Name4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene
PubChem CID18344291
Molecular FormulaC20H28F4
Molecular Weight344.44 g/mol
Exact Mass344.21
IUPAC Name4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene
SMILESCCc1ccc(CC(F)(F)C2CCC(CCCCF)CC2)cc1F
InChIInChI=1S/C20H28F4/c1-2-17-9-6-16(13-19(17)22)14-20(23,24)18-10-7-15(8-11-18)5-3-4-12-21/h6,9,13,15,18H,2-5,7-8,10-12,14H2,1H3
InChIKeyVKXNQWREQUQPSQ-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene 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

4-[4-(4-bromocyclohexyl)butyl]-1-ethyl-2-fluorobenzene
CID 22913892
1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
CID 18343984
1-ethyl-2-fluoro-4-[2-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzene
CID 19988134
2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene
CID 18344238
1-chloro-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344083
5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene
CID 18344427
5-[4-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]phenyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 18344457
1-ethyl-2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexyl]ethynyl]benzene
CID 19984872
2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
CID 140976267
1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene
CID 139603706
1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610847
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 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene?
The IUPAC name of 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene (CID 18344291) is 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene.
What is the SMILES notation for 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene?
The canonical SMILES for 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene is CCc1ccc(CC(F)(F)C2CCC(CCCCF)CC2)cc1F.
What is the InChIKey of 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene?
The InChIKey is VKXNQWREQUQPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F4/c1-2-17-9-6-16(13-19(17)22)14-20(23,24)18-10-7-15(8-11-18)5-3-4-12-21/h6,9,13,15,18H,2-5,7-8,10-12,14H2,1H3.
What are the key properties of 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene?
4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene has a molecular weight of 344.44 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene is sourced from PubChem (CID 18344291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).