1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone

C10H6F6O2 — CID 171031801

IUPAC1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)cc(OC(F)F)c1C(F)(F)F
InChIInChI=1S/C10H6F6O2/c1-4(17)6-2-5(11)3-7(18-9(12)13)8(6)10(14,15)16/h2-3,9H,1H3
InChIKeyVMUIZGTXRRECBC-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.65
Rot. Bonds3

About 1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone

1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 171031801) has the molecular formula C10H6F6O2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
PubChem CID171031801
Molecular FormulaC10H6F6O2
Molecular Weight272.14 g/mol
Exact Mass272.03
IUPAC Name1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)cc(OC(F)F)c1C(F)(F)F
InChIInChI=1S/C10H6F6O2/c1-4(17)6-2-5(11)3-7(18-9(12)13)8(6)10(14,15)16/h2-3,9H,1H3
InChIKeyVMUIZGTXRRECBC-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone
CID 171031562
1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031809
1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene
CID 171003163
1-[3-(difluoromethoxy)-5-iodo-4-(trifluoromethyl)phenyl]ethanone
CID 171032155
1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone
CID 171031662
1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131526444
1-[5-chloro-3-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171002694
1-[4-amino-3-(difluoromethoxy)-2-(trifluoromethyl)phenyl]ethanone
CID 171028256
1-[2-(difluoromethoxy)-4-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171032142
1-[2-amino-5-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034016
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
1-[4-(difluoromethoxy)-2-nitro-5-(trifluoromethyl)phenyl]ethanone
CID 171032396

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone (CID 171031801) is 1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone is CC(=O)c1cc(F)cc(OC(F)F)c1C(F)(F)F.
What is the InChIKey of 1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is VMUIZGTXRRECBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O2/c1-4(17)6-2-5(11)3-7(18-9(12)13)8(6)10(14,15)16/h2-3,9H,1H3.
What are the key properties of 1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 272.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171031801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).