1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene

C11H13F3O — CID 70810457

IUPAC1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene
SMILESCC(C)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3O/c1-8(2)15-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8H,7H2,1-2H3
InChIKeyLCONMZAIEAWMSG-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.63
Rot. Bonds3

About 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene

1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene (PubChem CID 70810457) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene
PubChem CID70810457
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene
SMILESCC(C)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3O/c1-8(2)15-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8H,7H2,1-2H3
InChIKeyLCONMZAIEAWMSG-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene (CID 70810457) is 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene is CC(C)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene?
The InChIKey is LCONMZAIEAWMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-8(2)15-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene?
1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene has a molecular weight of 218.22 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 70810457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).