1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane

C12H19F3O — CID 170060048

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

About 1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane

1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane (PubChem CID 170060048) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane
PubChem CID170060048
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane
SMILESC=C(CC1CCC(C(F)(F)F)CC1)OCC
InChIInChI=1S/C12H19F3O/c1-3-16-9(2)8-10-4-6-11(7-5-10)12(13,14)15/h10-11H,2-8H2,1H3
InChIKeyNVPLFZVFWJUNDA-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': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane (CID 170060048) is 1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane is C=C(CC1CCC(C(F)(F)F)CC1)OCC.
What is the InChIKey of 1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane?
The InChIKey is NVPLFZVFWJUNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O/c1-3-16-9(2)8-10-4-6-11(7-5-10)12(13,14)15/h10-11H,2-8H2,1H3.
What are the key properties of 1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane?
1-(2-ethoxyprop-2-enyl)-4-(trifluoromethyl)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-ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 170060048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).