1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone

C10H7F5O3 — CID 170997927

IUPAC1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H7F5O3/c1-5(16)6-2-3-7(17-9(11)12)8(4-6)18-10(13,14)15/h2-4,9H,1H3
InChIKeyQBCMNKQMQHMDSM-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.39
Rot. Bonds4

About 1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone

1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone (PubChem CID 170997927) has the molecular formula C10H7F5O3 and a molecular weight of 270.15 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone
PubChem CID170997927
Molecular FormulaC10H7F5O3
Molecular Weight270.15 g/mol
Exact Mass270.03
IUPAC Name1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H7F5O3/c1-5(16)6-2-3-7(17-9(11)12)8(4-6)18-10(13,14)15/h2-4,9H,1H3
InChIKeyQBCMNKQMQHMDSM-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(difluoromethoxy)-3-(trifluoromethoxy)benzoate
CID 170997887
1-chloro-1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propan-2-one
CID 166640615
1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
CID 167736306
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
1-[4-iodo-3-(trifluoromethoxy)phenyl]ethanone
CID 170909672
1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
CID 170996131
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
CID 170998457
3-[3,4-bis(difluoromethoxy)phenyl]but-2-enoic acid
CID 66604449
3-propan-2-yloxy-4-(trifluoromethoxy)benzoic acid
CID 164893526
4-(difluoromethoxy)-3-hydroxybenzoic acid
CID 59224129
[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine
CID 170998587
1-[3-(difluoromethoxy)-5-iodo-4-(trifluoromethyl)phenyl]ethanone
CID 171032155

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone (CID 170997927) is 1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone is CC(=O)c1ccc(OC(F)F)c(OC(F)(F)F)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is QBCMNKQMQHMDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O3/c1-5(16)6-2-3-7(17-9(11)12)8(4-6)18-10(13,14)15/h2-4,9H,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone?
1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 270.15 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 170997927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).