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

C11H13F3O2 — CID 91726745

IUPAC1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
SMILESCC(C)OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3O2/c1-8(2)15-7-9-3-5-10(6-4-9)16-11(12,13)14/h3-6,8H,7H2,1-2H3
InChIKeyFBOPDPKIJXDQGH-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.51
Rot. Bonds4

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

1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene (PubChem CID 91726745) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
PubChem CID91726745
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
SMILESCC(C)OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3O2/c1-8(2)15-7-9-3-5-10(6-4-9)16-11(12,13)14/h3-6,8H,7H2,1-2H3
InChIKeyFBOPDPKIJXDQGH-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenoxy]methyl]benzene
CID 142493435
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
2-bromo-1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 167714108
[4-(trifluoromethoxy)phenyl]methyl methanesulfonate
CID 21265728
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine
CID 65053013
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 82709084

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene (CID 91726745) is 1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene is CC(C)OCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene?
The InChIKey is FBOPDPKIJXDQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-8(2)15-7-9-3-5-10(6-4-9)16-11(12,13)14/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene?
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene has a molecular weight of 234.22 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 91726745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).