1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane

C11H19F3 — CID 71231425

IUPAC1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane
SMILESCC(C)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14/h8-10H,3-7H2,1-2H3
InChIKeyZMALRKGRBKUZKE-UHFFFAOYSA-N
MW208.27 g/mol
LogP4.40
Rot. Bonds2

About 1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane

1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane (PubChem CID 71231425) has the molecular formula C11H19F3 and a molecular weight of 208.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane
PubChem CID71231425
Molecular FormulaC11H19F3
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane
SMILESCC(C)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14/h8-10H,3-7H2,1-2H3
InChIKeyZMALRKGRBKUZKE-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane (CID 71231425) is 1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane is CC(C)CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane?
The InChIKey is ZMALRKGRBKUZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane?
1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane has a molecular weight of 208.27 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 71231425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).