1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene

C9H7F5O2 — CID 46311607

IUPAC1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
SMILESCOc1cccc(OC(F)F)c1C(F)(F)F
InChIInChI=1S/C9H7F5O2/c1-15-5-3-2-4-6(16-8(10)11)7(5)9(12,13)14/h2-4,8H,1H3
InChIKeyQGHJSNZHTDYCMX-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.32
Rot. Bonds3

About 1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene

1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene (PubChem CID 46311607) has the molecular formula C9H7F5O2 and a molecular weight of 242.14 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
PubChem CID46311607
Molecular FormulaC9H7F5O2
Molecular Weight242.14 g/mol
Exact Mass242.04
IUPAC Name1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
SMILESCOc1cccc(OC(F)F)c1C(F)(F)F
InChIInChI=1S/C9H7F5O2/c1-15-5-3-2-4-6(16-8(10)11)7(5)9(12,13)14/h2-4,8H,1H3
InChIKeyQGHJSNZHTDYCMX-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene (CID 46311607) is 1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene is COc1cccc(OC(F)F)c1C(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene?
The InChIKey is QGHJSNZHTDYCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O2/c1-15-5-3-2-4-6(16-8(10)11)7(5)9(12,13)14/h2-4,8H,1H3.
What are the key properties of 1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene?
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene has a molecular weight of 242.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 46311607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).