1-methoxy-2-(trifluoromethyl)cyclohexane

C8H13F3O — CID 18725568

IUPAC1-methoxy-2-(trifluoromethyl)cyclohexane
SMILESCOC1CCCCC1C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-12-7-5-3-2-4-6(7)8(9,10)11/h6-7H,2-5H2,1H3
InChIKeyXWQCWGPJWJJZTG-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.75
Rot. Bonds1

About 1-methoxy-2-(trifluoromethyl)cyclohexane

1-methoxy-2-(trifluoromethyl)cyclohexane (PubChem CID 18725568) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-methoxy-2-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-methoxy-2-(trifluoromethyl)cyclohexane
PubChem CID18725568
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1-methoxy-2-(trifluoromethyl)cyclohexane
SMILESCOC1CCCCC1C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-12-7-5-3-2-4-6(7)8(9,10)11/h6-7H,2-5H2,1H3
InChIKeyXWQCWGPJWJJZTG-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-methoxy-2-(trifluoromethyl)cyclohexane (CID 18725568) is 1-methoxy-2-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-methoxy-2-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-methoxy-2-(trifluoromethyl)cyclohexane is COC1CCCCC1C(F)(F)F.
What is the InChIKey of 1-methoxy-2-(trifluoromethyl)cyclohexane?
The InChIKey is XWQCWGPJWJJZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-12-7-5-3-2-4-6(7)8(9,10)11/h6-7H,2-5H2,1H3.
What are the key properties of 1-methoxy-2-(trifluoromethyl)cyclohexane?
1-methoxy-2-(trifluoromethyl)cyclohexane has a molecular weight of 182.18 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 18725568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).