1-propan-2-yl-4-(trifluoromethoxy)cyclohexane

C10H17F3O — CID 86236765

IUPAC1-propan-2-yl-4-(trifluoromethoxy)cyclohexane
SMILESCC(C)C1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H17F3O/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyCQOOWWVIZJTFLD-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.74
Rot. Bonds2

About 1-propan-2-yl-4-(trifluoromethoxy)cyclohexane

1-propan-2-yl-4-(trifluoromethoxy)cyclohexane (PubChem CID 86236765) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-propan-2-yl-4-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name1-propan-2-yl-4-(trifluoromethoxy)cyclohexane
PubChem CID86236765
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name1-propan-2-yl-4-(trifluoromethoxy)cyclohexane
SMILESCC(C)C1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H17F3O/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyCQOOWWVIZJTFLD-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(trifluoromethoxy)cyclohexane?
The IUPAC name of 1-propan-2-yl-4-(trifluoromethoxy)cyclohexane (CID 86236765) is 1-propan-2-yl-4-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 1-propan-2-yl-4-(trifluoromethoxy)cyclohexane?
The canonical SMILES for 1-propan-2-yl-4-(trifluoromethoxy)cyclohexane is CC(C)C1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 1-propan-2-yl-4-(trifluoromethoxy)cyclohexane?
The InChIKey is CQOOWWVIZJTFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(trifluoromethoxy)cyclohexane?
1-propan-2-yl-4-(trifluoromethoxy)cyclohexane has a molecular weight of 210.24 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 86236765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).