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

C11H19F3O — CID 138972410

IUPAC1-tert-butyl-4-(trifluoromethoxy)cyclohexane
SMILESCC(C)(C)C1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C11H19F3O/c1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14/h8-9H,4-7H2,1-3H3
InChIKeyCCPUPIPFIHBUHP-UHFFFAOYSA-N
MW224.27 g/mol
LogP4.13
Rot. Bonds1

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

1-tert-butyl-4-(trifluoromethoxy)cyclohexane (PubChem CID 138972410) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-tert-butyl-4-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(trifluoromethoxy)cyclohexane
PubChem CID138972410
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name1-tert-butyl-4-(trifluoromethoxy)cyclohexane
SMILESCC(C)(C)C1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C11H19F3O/c1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14/h8-9H,4-7H2,1-3H3
InChIKeyCCPUPIPFIHBUHP-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
CID 18974564
1-Methoxy-4-tert-pentylcyclohexane
CID 3420996
1-Tert-butyl-4-methoxycyclohexane
CID 139997
1-Methoxy-4-(propan-2-yl)cyclohexane
CID 23594959
(4-Tert-butylcyclohexyl) carbonofluoridate
CID 101175862
4-Tert-butyl-3-fluorocyclohexan-1-ol
CID 130142729
1-Tert-butyl-4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexane
CID 135080583
Sodium 4-tert-butylcyclohexan-1-olate
CID 23680198
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002010
1-Methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026517
1-Methoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 19026572

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(trifluoromethoxy)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(trifluoromethoxy)cyclohexane (CID 138972410) is 1-tert-butyl-4-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(trifluoromethoxy)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(trifluoromethoxy)cyclohexane is CC(C)(C)C1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-(trifluoromethoxy)cyclohexane?
The InChIKey is CCPUPIPFIHBUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(trifluoromethoxy)cyclohexane?
1-tert-butyl-4-(trifluoromethoxy)cyclohexane has a molecular weight of 224.27 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 138972410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).