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

C11H13F3O2 — CID 121223255

IUPAC1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene
SMILESCOc1ccc(C(CC(F)(F)F)OC)cc1
InChIInChI=1S/C11H13F3O2/c1-15-9-5-3-8(4-6-9)10(16-2)7-11(12,13)14/h3-6,10H,7H2,1-2H3
InChIKeyLSIIZUVGVJENMM-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.34
Rot. Bonds4

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

1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene (PubChem CID 121223255) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene
PubChem CID121223255
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene
SMILESCOc1ccc(C(CC(F)(F)F)OC)cc1
InChIInChI=1S/C11H13F3O2/c1-15-9-5-3-8(4-6-9)10(16-2)7-11(12,13)14/h3-6,10H,7H2,1-2H3
InChIKeyLSIIZUVGVJENMM-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene?
The IUPAC name of 1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene (CID 121223255) is 1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene.
What is the SMILES notation for 1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene?
The canonical SMILES for 1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene is COc1ccc(C(CC(F)(F)F)OC)cc1.
What is the InChIKey of 1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene?
The InChIKey is LSIIZUVGVJENMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-15-9-5-3-8(4-6-9)10(16-2)7-11(12,13)14/h3-6,10H,7H2,1-2H3.
What are the key properties of 1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene?
1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene has a molecular weight of 234.22 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(3,3,3-trifluoro-1-methoxypropyl)benzene is sourced from PubChem (CID 121223255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).