4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene

C16H21F3 — CID 168837355

IUPAC4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(C2CCC(C)(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C16H21F3/c1-11-4-5-13(10-14(11)16(17,18)19)12-6-8-15(2,3)9-7-12/h4-5,10,12H,6-9H2,1-3H3
InChIKeyJWUHJKQADCIRIL-UHFFFAOYSA-N
MW270.34 g/mol
LogP5.70
Rot. Bonds1

About 4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene

4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene (PubChem CID 168837355) has the molecular formula C16H21F3 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene
PubChem CID168837355
Molecular FormulaC16H21F3
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(C2CCC(C)(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C16H21F3/c1-11-4-5-13(10-14(11)16(17,18)19)12-6-8-15(2,3)9-7-12/h4-5,10,12H,6-9H2,1-3H3
InChIKeyJWUHJKQADCIRIL-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.34
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene (CID 168837355) is 4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene is Cc1ccc(C2CCC(C)(C)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is JWUHJKQADCIRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3/c1-11-4-5-13(10-14(11)16(17,18)19)12-6-8-15(2,3)9-7-12/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene?
4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 270.34 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 168837355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).