3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride

C10H9F3O2 — CID 142787315

IUPAC3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride
SMILESCOC(C(=O)F)(c1ccccc1)C(F)F
InChIInChI=1S/C10H9F3O2/c1-15-10(8(11)12,9(13)14)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyQVOAOYMOTVGVSS-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.29
Rot. Bonds4

About 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride

3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride (PubChem CID 142787315) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride.

Molecular Properties

Compound Name3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride
PubChem CID142787315
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride
SMILESCOC(C(=O)F)(c1ccccc1)C(F)F
InChIInChI=1S/C10H9F3O2/c1-15-10(8(11)12,9(13)14)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyQVOAOYMOTVGVSS-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-1,2-difluoro-1-methoxyethyl)benzene
CID 11106546
(2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate
CID 71365812
(2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride
CID 178047727
fluoro 2-(difluoromethyl)-3,3-dimethyl-2-phenylbutanoate
CID 90031723
(2,2-dichloro-1,1-dimethoxyethyl)benzene
CID 11356770
aluminum;methoxy(phenyl)methanediol;trichloride
CID 173442251
(3-methoxy-2-methyl-3-phenylbutan-2-yl) hydrogen carbonate
CID 90300640
methyl 3,3,3-triphenyl-2-sulfanylpropanoate
CID 54400813
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
dimethyl 3-methoxy-2,5-dioxo-3,4-diphenylhexanedioate
CID 14069669
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 67717201
2,2-dibromo-2-phenylacetyl chloride
CID 56990356

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride?
The IUPAC name of 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride (CID 142787315) is 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride.
What is the SMILES notation for 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride?
The canonical SMILES for 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride is COC(C(=O)F)(c1ccccc1)C(F)F.
What is the InChIKey of 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride?
The InChIKey is QVOAOYMOTVGVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-15-10(8(11)12,9(13)14)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride?
3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride has a molecular weight of 218.17 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride is sourced from PubChem (CID 142787315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).