1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene

C10H9F5O3 — CID 171027360

IUPAC1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
SMILESCCOc1cccc(OC(F)F)c1OC(F)(F)F
InChIInChI=1S/C10H9F5O3/c1-2-16-6-4-3-5-7(17-9(11)12)8(6)18-10(13,14)15/h3-5,9H,2H2,1H3
InChIKeyOTAVFLXDVVRJSY-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.59
Rot. Bonds5

About 1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene

1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene (PubChem CID 171027360) has the molecular formula C10H9F5O3 and a molecular weight of 272.17 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
PubChem CID171027360
Molecular FormulaC10H9F5O3
Molecular Weight272.17 g/mol
Exact Mass272.05
IUPAC Name1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
SMILESCCOc1cccc(OC(F)F)c1OC(F)(F)F
InChIInChI=1S/C10H9F5O3/c1-2-16-6-4-3-5-7(17-9(11)12)8(6)18-10(13,14)15/h3-5,9H,2H2,1H3
InChIKeyOTAVFLXDVVRJSY-UHFFFAOYSA-N
XLogP3.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene
CID 118269087
3-(difluoromethoxy)-2-(trifluoromethoxy)phenol
CID 134622354
1-bromo-1-[3-ethoxy-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134615885
2-chloro-1-[3-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619579
1-(3-bromopropyl)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 118818980
2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal
CID 134639459
1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene
CID 165468768
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
1-methyl-3-propoxy-2-(trifluoromethoxy)benzene
CID 118268763
3-bromo-1-[2-(difluoromethoxy)-3-ethoxyphenyl]propan-1-one
CID 134624345
3-[2-(difluoromethoxy)-6-ethoxyphenyl]propanenitrile
CID 118808962
1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
CID 134625765

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene (CID 171027360) is 1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene is CCOc1cccc(OC(F)F)c1OC(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene?
The InChIKey is OTAVFLXDVVRJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O3/c1-2-16-6-4-3-5-7(17-9(11)12)8(6)18-10(13,14)15/h3-5,9H,2H2,1H3.
What are the key properties of 1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene?
1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene has a molecular weight of 272.17 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 171027360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).