2-fluoro-3-(trifluoromethoxy)benzoyl fluoride

C8H3F5O2 — CID 88701433

IUPAC2-fluoro-3-(trifluoromethoxy)benzoyl fluoride
SMILESO=C(F)c1cccc(OC(F)(F)F)c1F
InChIInChI=1S/C8H3F5O2/c9-6-4(7(10)14)2-1-3-5(6)15-8(11,12)13/h1-3H
InChIKeyCICHUBNDFUQNMR-UHFFFAOYSA-N
MW226.10 g/mol
LogP2.83
Rot. Bonds2

About 2-fluoro-3-(trifluoromethoxy)benzoyl fluoride

2-fluoro-3-(trifluoromethoxy)benzoyl fluoride (PubChem CID 88701433) has the molecular formula C8H3F5O2 and a molecular weight of 226.10 g/mol. Its IUPAC name is 2-fluoro-3-(trifluoromethoxy)benzoyl fluoride.

Molecular Properties

Compound Name2-fluoro-3-(trifluoromethoxy)benzoyl fluoride
PubChem CID88701433
Molecular FormulaC8H3F5O2
Molecular Weight226.10 g/mol
Exact Mass226.01
IUPAC Name2-fluoro-3-(trifluoromethoxy)benzoyl fluoride
SMILESO=C(F)c1cccc(OC(F)(F)F)c1F
InChIInChI=1S/C8H3F5O2/c9-6-4(7(10)14)2-1-3-5(6)15-8(11,12)13/h1-3H
InChIKeyCICHUBNDFUQNMR-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-[2-fluoro-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619087
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609
2-(trifluoromethoxy)benzoate
CID 6933714
1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene
CID 118334273
2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide
CID 88921988
2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 116551144
2-fluoro-3-(trifluoromethoxy)aniline
CID 25210503
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
S-(2,6-dichlorophenyl) 2-(trifluoromethoxy)benzenecarbothioate
CID 2744781
2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744785
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(trifluoromethoxy)benzoyl fluoride?
The IUPAC name of 2-fluoro-3-(trifluoromethoxy)benzoyl fluoride (CID 88701433) is 2-fluoro-3-(trifluoromethoxy)benzoyl fluoride.
What is the SMILES notation for 2-fluoro-3-(trifluoromethoxy)benzoyl fluoride?
The canonical SMILES for 2-fluoro-3-(trifluoromethoxy)benzoyl fluoride is O=C(F)c1cccc(OC(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-3-(trifluoromethoxy)benzoyl fluoride?
The InChIKey is CICHUBNDFUQNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5O2/c9-6-4(7(10)14)2-1-3-5(6)15-8(11,12)13/h1-3H.
What are the key properties of 2-fluoro-3-(trifluoromethoxy)benzoyl fluoride?
2-fluoro-3-(trifluoromethoxy)benzoyl fluoride has a molecular weight of 226.10 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(trifluoromethoxy)benzoyl fluoride is sourced from PubChem (CID 88701433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).