1-methyl-2-(trifluoromethoxy)cyclohexene

C8H11F3O — CID 121263533

IUPAC1-methyl-2-(trifluoromethoxy)cyclohexene
SMILESCC1=C(OC(F)(F)F)CCCC1
InChIInChI=1S/C8H11F3O/c1-6-4-2-3-5-7(6)12-8(9,10)11/h2-5H2,1H3
InChIKeyKWDWKKGGAAFIJK-UHFFFAOYSA-N
MW180.17 g/mol
LogP3.37
Rot. Bonds1

About 1-methyl-2-(trifluoromethoxy)cyclohexene

1-methyl-2-(trifluoromethoxy)cyclohexene (PubChem CID 121263533) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethoxy)cyclohexene.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethoxy)cyclohexene
PubChem CID121263533
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name1-methyl-2-(trifluoromethoxy)cyclohexene
SMILESCC1=C(OC(F)(F)F)CCCC1
InChIInChI=1S/C8H11F3O/c1-6-4-2-3-5-7(6)12-8(9,10)11/h2-5H2,1H3
InChIKeyKWDWKKGGAAFIJK-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethoxy)cyclohexene?
The IUPAC name of 1-methyl-2-(trifluoromethoxy)cyclohexene (CID 121263533) is 1-methyl-2-(trifluoromethoxy)cyclohexene.
What is the SMILES notation for 1-methyl-2-(trifluoromethoxy)cyclohexene?
The canonical SMILES for 1-methyl-2-(trifluoromethoxy)cyclohexene is CC1=C(OC(F)(F)F)CCCC1.
What is the InChIKey of 1-methyl-2-(trifluoromethoxy)cyclohexene?
The InChIKey is KWDWKKGGAAFIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-6-4-2-3-5-7(6)12-8(9,10)11/h2-5H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethoxy)cyclohexene?
1-methyl-2-(trifluoromethoxy)cyclohexene has a molecular weight of 180.17 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethoxy)cyclohexene is sourced from PubChem (CID 121263533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).