2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride

C6H6F7NO — CID 157220921

IUPAC2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
SMILESCN(C)C(F)(F)C(F)(C(=O)F)C(F)(F)F
InChIInChI=1S/C6H6F7NO/c1-14(2)6(12,13)4(8,3(7)15)5(9,10)11/h1-2H3
InChIKeyJJXWXBUXVIAXLQ-UHFFFAOYSA-N
MW241.11 g/mol
LogP1.91
Rot. Bonds3

About 2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride

2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride (PubChem CID 157220921) has the molecular formula C6H6F7NO and a molecular weight of 241.11 g/mol. Its IUPAC name is 2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride.

Molecular Properties

Compound Name2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
PubChem CID157220921
Molecular FormulaC6H6F7NO
Molecular Weight241.11 g/mol
Exact Mass241.03
IUPAC Name2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
SMILESCN(C)C(F)(F)C(F)(C(=O)F)C(F)(F)F
InChIInChI=1S/C6H6F7NO/c1-14(2)6(12,13)4(8,3(7)15)5(9,10)11/h1-2H3
InChIKeyJJXWXBUXVIAXLQ-UHFFFAOYSA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

beta-Dimethylamino-alpha,alpha-bis(trifluoromethyl)propionic acid fluoride
CID 12655952
2,2,3,3-Tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride
CID 129208021
2-[Difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
CID 129208028
3-(Dimethylamino)-2,2,3,3-tetrafluoropropanoyl fluoride
CID 85576476

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The IUPAC name of 2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride (CID 157220921) is 2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride.
What is the SMILES notation for 2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The canonical SMILES for 2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride is CN(C)C(F)(F)C(F)(C(=O)F)C(F)(F)F.
What is the InChIKey of 2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The InChIKey is JJXWXBUXVIAXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7NO/c1-14(2)6(12,13)4(8,3(7)15)5(9,10)11/h1-2H3.
What are the key properties of 2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride has a molecular weight of 241.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride is sourced from PubChem (CID 157220921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).