1-tert-butyl-4-(trifluoromethyl)cyclohexane

C11H19F3 — CID 23233590

IUPAC1-tert-butyl-4-(trifluoromethyl)cyclohexane
SMILESCC(C)(C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3/c1-10(2,3)8-4-6-9(7-5-8)11(12,13)14/h8-9H,4-7H2,1-3H3
InChIKeyMTJLSEWTSBBXIY-UHFFFAOYSA-N
MW208.27 g/mol
LogP4.40
Rot. Bonds

About 1-tert-butyl-4-(trifluoromethyl)cyclohexane

1-tert-butyl-4-(trifluoromethyl)cyclohexane (PubChem CID 23233590) has the molecular formula C11H19F3 and a molecular weight of 208.27 g/mol. Its IUPAC name is 1-tert-butyl-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(trifluoromethyl)cyclohexane
PubChem CID23233590
Molecular FormulaC11H19F3
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name1-tert-butyl-4-(trifluoromethyl)cyclohexane
SMILESCC(C)(C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3/c1-10(2,3)8-4-6-9(7-5-8)11(12,13)14/h8-9H,4-7H2,1-3H3
InChIKeyMTJLSEWTSBBXIY-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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-tert-butyl-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(trifluoromethyl)cyclohexane (CID 23233590) is 1-tert-butyl-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(trifluoromethyl)cyclohexane is CC(C)(C)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-(trifluoromethyl)cyclohexane?
The InChIKey is MTJLSEWTSBBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3/c1-10(2,3)8-4-6-9(7-5-8)11(12,13)14/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(trifluoromethyl)cyclohexane?
1-tert-butyl-4-(trifluoromethyl)cyclohexane has a molecular weight of 208.27 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 23233590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).