1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane

C12H21F3O — CID 134192346

IUPAC1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane
SMILESCC(C)COCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3O/c1-9(2)7-16-8-10-3-5-11(6-4-10)12(13,14)15/h9-11H,3-8H2,1-2H3
InChIKeyVPHIUUSEJBRKGO-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.03
Rot. Bonds4

About 1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane

1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane (PubChem CID 134192346) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane
PubChem CID134192346
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane
SMILESCC(C)COCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3O/c1-9(2)7-16-8-10-3-5-11(6-4-10)12(13,14)15/h9-11H,3-8H2,1-2H3
InChIKeyVPHIUUSEJBRKGO-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane (CID 134192346) is 1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane is CC(C)COCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane?
The InChIKey is VPHIUUSEJBRKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O/c1-9(2)7-16-8-10-3-5-11(6-4-10)12(13,14)15/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane?
1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane has a molecular weight of 238.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 134192346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).