1-methyl-3-propoxy-2-(trifluoromethoxy)benzene

C11H13F3O2 — CID 118268763

IUPAC1-methyl-3-propoxy-2-(trifluoromethoxy)benzene
SMILESCCCOc1cccc(C)c1OC(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-3-7-15-9-6-4-5-8(2)10(9)16-11(12,13)14/h4-6H,3,7H2,1-2H3
InChIKeyHECALDIKDWGGSL-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.68
Rot. Bonds4

About 1-methyl-3-propoxy-2-(trifluoromethoxy)benzene

1-methyl-3-propoxy-2-(trifluoromethoxy)benzene (PubChem CID 118268763) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-methyl-3-propoxy-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-methyl-3-propoxy-2-(trifluoromethoxy)benzene
PubChem CID118268763
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1-methyl-3-propoxy-2-(trifluoromethoxy)benzene
SMILESCCCOc1cccc(C)c1OC(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-3-7-15-9-6-4-5-8(2)10(9)16-11(12,13)14/h4-6H,3,7H2,1-2H3
InChIKeyHECALDIKDWGGSL-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene
CID 118269087
1,3-dimethyl-2-propoxybenzene
CID 579040
2-chloro-1-methyl-3-propoxybenzene
CID 118269413
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861
1-bromo-2,3-dipropoxybenzene
CID 91157628
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
1-bromo-3-methyl-2-propoxybenzene
CID 58352154
ethane;3-methyl-2-propoxyphenol
CID 143473467
1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 171027360
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
3-methyl-2-(2-propoxyphenoxy)benzonitrile
CID 107107419
1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene
CID 134622447

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propoxy-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-methyl-3-propoxy-2-(trifluoromethoxy)benzene (CID 118268763) is 1-methyl-3-propoxy-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-methyl-3-propoxy-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-methyl-3-propoxy-2-(trifluoromethoxy)benzene is CCCOc1cccc(C)c1OC(F)(F)F.
What is the InChIKey of 1-methyl-3-propoxy-2-(trifluoromethoxy)benzene?
The InChIKey is HECALDIKDWGGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-3-7-15-9-6-4-5-8(2)10(9)16-11(12,13)14/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-methyl-3-propoxy-2-(trifluoromethoxy)benzene?
1-methyl-3-propoxy-2-(trifluoromethoxy)benzene has a molecular weight of 234.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propoxy-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 118268763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).