2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene

C30H46ClF3 — CID 139779221

IUPAC2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
SMILESCCCCCCCCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3Cl)CC2)CC1
InChIInChI=1S/C30H46ClF3/c1-2-3-4-5-6-7-8-9-10-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28-21-20-27(22-29(28)31)30(32,33)34/h20-26H,2-19H2,1H3
InChIKeyUJJCBRABNYIKNH-UHFFFAOYSA-N
MW499.15 g/mol
LogP11.36
Rot. Bonds12

About 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene

2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene (PubChem CID 139779221) has the molecular formula C30H46ClF3 and a molecular weight of 499.15 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
PubChem CID139779221
Molecular FormulaC30H46ClF3
Molecular Weight499.15 g/mol
Exact Mass498.32
IUPAC Name2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
SMILESCCCCCCCCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3Cl)CC2)CC1
InChIInChI=1S/C30H46ClF3/c1-2-3-4-5-6-7-8-9-10-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28-21-20-27(22-29(28)31)30(32,33)34/h20-26H,2-19H2,1H3
InChIKeyUJJCBRABNYIKNH-UHFFFAOYSA-N
XLogP11.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.15
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene 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

2-chloro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779235
2-fluoro-1-[4-(4-nonylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779219
1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene
CID 139911130
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
4-chloro-2-(difluoromethoxy)-1-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 139947282
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
2-hexyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385313
3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol
CID 142282401
1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139763396
1-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139763400
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(1,1,2,2-tetrafluoropentyl)benzene
CID 23188474

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene (CID 139779221) is 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene is CCCCCCCCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3Cl)CC2)CC1.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene?
The InChIKey is UJJCBRABNYIKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46ClF3/c1-2-3-4-5-6-7-8-9-10-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28-21-20-27(22-29(28)31)30(32,33)34/h20-26H,2-19H2,1H3.
What are the key properties of 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene?
2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene has a molecular weight of 499.15 g/mol, XLogP of 11.36, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 139779221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).