1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane

C12H19F3O — CID 143587510

IUPAC1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane
SMILESC=C(C)CC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H19F3O/c1-9(2)6-10-4-3-5-11(7-10)16-8-12(13,14)15/h10-11H,1,3-8H2,2H3
InChIKeyVZSLSVZJQQNTGM-UHFFFAOYSA-N
MW236.28 g/mol
LogP4.09
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane

1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane (PubChem CID 143587510) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane
PubChem CID143587510
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane
SMILESC=C(C)CC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H19F3O/c1-9(2)6-10-4-3-5-11(7-10)16-8-12(13,14)15/h10-11H,1,3-8H2,2H3
InChIKeyVZSLSVZJQQNTGM-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 54.09
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
2-[4-(3,3-Difluoroprop-2-enyl)cyclohexyl]-5-methyloxane
CID 20599571
2-[4-(Difluoromethylidene)cyclohexyl]-5-methyloxane
CID 57987751
1-But-3-enyl-3-(trifluoromethoxy)cyclohexane
CID 91116227
1-Methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane
CID 91433927
1-(2-Methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane
CID 91581767
1-(1-Butoxyethenyl)-4-(2,2,3,3,3-pentafluoropropyl)cyclohexane
CID 117746158
2-[4-(Difluoromethylidene)cyclohexyl]-5-propyloxane
CID 118601403
1-Ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane
CID 122540842
2-Methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane
CID 123341141
1-[Difluoro(6-methylheptan-3-yloxy)methyl]-4-ethenylcyclohexane
CID 138493531
1-(3,6-Dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane
CID 144809473

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane (CID 143587510) is 1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane is C=C(C)CC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane?
The InChIKey is VZSLSVZJQQNTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O/c1-9(2)6-10-4-3-5-11(7-10)16-8-12(13,14)15/h10-11H,1,3-8H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane?
1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane has a molecular weight of 236.28 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane is sourced from PubChem (CID 143587510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).