1-methoxy-4-(2,2,2-trifluoroethoxy)benzene

C9H9F3O2 — CID 12647496

IUPAC1-methoxy-4-(2,2,2-trifluoroethoxy)benzene
SMILESCOc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C9H9F3O2/c1-13-7-2-4-8(5-3-7)14-6-9(10,11)12/h2-5H,6H2,1H3
InChIKeyQWTRYAZYSSMPLZ-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.64
Rot. Bonds3

About 1-methoxy-4-(2,2,2-trifluoroethoxy)benzene

1-methoxy-4-(2,2,2-trifluoroethoxy)benzene (PubChem CID 12647496) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 1-methoxy-4-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2,2,2-trifluoroethoxy)benzene
PubChem CID12647496
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name1-methoxy-4-(2,2,2-trifluoroethoxy)benzene
SMILESCOc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C9H9F3O2/c1-13-7-2-4-8(5-3-7)14-6-9(10,11)12/h2-5H,6H2,1H3
InChIKeyQWTRYAZYSSMPLZ-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-methoxy-4-(2,2,2-trifluoroethoxy)benzene (CID 12647496) is 1-methoxy-4-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-methoxy-4-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-methoxy-4-(2,2,2-trifluoroethoxy)benzene is COc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-4-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is QWTRYAZYSSMPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-13-7-2-4-8(5-3-7)14-6-9(10,11)12/h2-5H,6H2,1H3.
What are the key properties of 1-methoxy-4-(2,2,2-trifluoroethoxy)benzene?
1-methoxy-4-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 206.16 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 12647496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).