1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene

C11H13F3O — CID 153251722

IUPAC1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene
SMILESCOC(CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C11H13F3O/c1-8-3-5-9(6-4-8)10(15-2)7-11(12,13)14/h3-6,10H,7H2,1-2H3
InChIKeyWTLUCVXEFBKNRQ-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.63
Rot. Bonds3

About 1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene

1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene (PubChem CID 153251722) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene
PubChem CID153251722
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene
SMILESCOC(CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C11H13F3O/c1-8-3-5-9(6-4-8)10(15-2)7-11(12,13)14/h3-6,10H,7H2,1-2H3
InChIKeyWTLUCVXEFBKNRQ-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-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene?
The IUPAC name of 1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene (CID 153251722) is 1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene.
What is the SMILES notation for 1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene?
The canonical SMILES for 1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene is COC(CC(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene?
The InChIKey is WTLUCVXEFBKNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-8-3-5-9(6-4-8)10(15-2)7-11(12,13)14/h3-6,10H,7H2,1-2H3.
What are the key properties of 1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene?
1-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)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-methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene is sourced from PubChem (CID 153251722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).