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

C6H3F10NO — CID 129208028

IUPAC2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
SMILESCN(C(F)(F)F)C(F)(F)C(F)(C(=O)F)C(F)(F)F
InChIInChI=1S/C6H3F10NO/c1-17(6(14,15)16)5(12,13)3(8,2(7)18)4(9,10)11/h1H3
InChIKeyONEIZQFWCMBFRV-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.80
Rot. Bonds3

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

2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride (PubChem CID 129208028) has the molecular formula C6H3F10NO and a molecular weight of 295.08 g/mol. Its IUPAC name is 2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride.

Molecular Properties

Compound Name2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
PubChem CID129208028
Molecular FormulaC6H3F10NO
Molecular Weight295.08 g/mol
Exact Mass295.01
IUPAC Name2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
SMILESCN(C(F)(F)F)C(F)(F)C(F)(C(=O)F)C(F)(F)F
InChIInChI=1S/C6H3F10NO/c1-17(6(14,15)16)5(12,13)3(8,2(7)18)4(9,10)11/h1H3
InChIKeyONEIZQFWCMBFRV-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.80
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'}

Analyze 2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The IUPAC name of 2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride (CID 129208028) is 2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride.
What is the SMILES notation for 2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The canonical SMILES for 2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride is CN(C(F)(F)F)C(F)(F)C(F)(C(=O)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The InChIKey is ONEIZQFWCMBFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F10NO/c1-17(6(14,15)16)5(12,13)3(8,2(7)18)4(9,10)11/h1H3.
What are the key properties of 2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride has a molecular weight of 295.08 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-[methyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoyl fluoride is sourced from PubChem (CID 129208028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).