1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane

C12H19F3O — CID 91581767

IUPAC1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane
SMILESC=C(C)CC1CCC(COC(F)(F)F)CC1
InChIInChI=1S/C12H19F3O/c1-9(2)7-10-3-5-11(6-4-10)8-16-12(13,14)15/h10-11H,1,3-8H2,2H3
InChIKeyRRLISIOECCZFAQ-UHFFFAOYSA-N
MW236.28 g/mol
LogP4.30
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane

1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane (PubChem CID 91581767) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane
PubChem CID91581767
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane
SMILESC=C(C)CC1CCC(COC(F)(F)F)CC1
InChIInChI=1S/C12H19F3O/c1-9(2)7-10-3-5-11(6-4-10)8-16-12(13,14)15/h10-11H,1,3-8H2,2H3
InChIKeyRRLISIOECCZFAQ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane?
The IUPAC name of 1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane (CID 91581767) is 1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane?
The canonical SMILES for 1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane is C=C(C)CC1CCC(COC(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane?
The InChIKey is RRLISIOECCZFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O/c1-9(2)7-10-3-5-11(6-4-10)8-16-12(13,14)15/h10-11H,1,3-8H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane?
1-(2-methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane has a molecular weight of 236.28 g/mol, XLogP of 4.30, 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)-4-(trifluoromethoxymethyl)cyclohexane is sourced from PubChem (CID 91581767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).