2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane

C11H17F3O — CID 123341141

IUPAC2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane
SMILESC=C1C(OC(F)(F)F)CCCC1C(C)C
InChIInChI=1S/C11H17F3O/c1-7(2)9-5-4-6-10(8(9)3)15-11(12,13)14/h7,9-10H,3-6H2,1-2H3
InChIKeyDFRDVNPXAMGNDV-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.90
Rot. Bonds2

About 2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane

2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane (PubChem CID 123341141) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane
PubChem CID123341141
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane
SMILESC=C1C(OC(F)(F)F)CCCC1C(C)C
InChIInChI=1S/C11H17F3O/c1-7(2)9-5-4-6-10(8(9)3)15-11(12,13)14/h7,9-10H,3-6H2,1-2H3
InChIKeyDFRDVNPXAMGNDV-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 10442437
1-(2-Methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane
CID 91581767
(1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane
CID 135248142
1-(2-Methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 143587510
Cyclohexane,1-(1,1-dimethylethyl)-3-methoxy-4-methylene-cis-
CID 144288
5,6-Ditert-butyl-2,2-difluoro-3-methylideneoxane
CID 161910162
1,1-Difluoro-3-methoxy-5-prop-1-en-2-ylcyclohexane
CID 168250854
2-Methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
CID 71343941
cis-(2S,4R)-2-methoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
CID 71351505
2-Ethenoxy-1-methylidene-4-propan-2-ylcyclohexane
CID 89482539
(4R)-2-ethenoxy-1-methylidene-4-propan-2-ylcyclohexane
CID 89491192
(4S)-2-ethenoxy-1-methylidene-4-propan-2-ylcyclohexane
CID 89491216

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane?
The IUPAC name of 2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane (CID 123341141) is 2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane?
The canonical SMILES for 2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane is C=C1C(OC(F)(F)F)CCCC1C(C)C.
What is the InChIKey of 2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane?
The InChIKey is DFRDVNPXAMGNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O/c1-7(2)9-5-4-6-10(8(9)3)15-11(12,13)14/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane?
2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane has a molecular weight of 222.25 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 123341141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).