2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride

C5H3F8NO — CID 129208021

IUPAC2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride
SMILESCN(C(F)(F)F)C(F)(F)C(F)(F)C(=O)F
InChIInChI=1S/C5H3F8NO/c1-14(5(11,12)13)4(9,10)3(7,8)2(6)15/h1H3
InChIKeyFOULAFMQJNFMLC-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.16
Rot. Bonds3

About 2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride

2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride (PubChem CID 129208021) has the molecular formula C5H3F8NO and a molecular weight of 245.07 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride
PubChem CID129208021
Molecular FormulaC5H3F8NO
Molecular Weight245.07 g/mol
Exact Mass245.01
IUPAC Name2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride
SMILESCN(C(F)(F)F)C(F)(F)C(F)(F)C(=O)F
InChIInChI=1S/C5H3F8NO/c1-14(5(11,12)13)4(9,10)3(7,8)2(6)15/h1H3
InChIKeyFOULAFMQJNFMLC-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.16
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride?
The IUPAC name of 2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride (CID 129208021) is 2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride is CN(C(F)(F)F)C(F)(F)C(F)(F)C(=O)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride?
The InChIKey is FOULAFMQJNFMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F8NO/c1-14(5(11,12)13)4(9,10)3(7,8)2(6)15/h1H3.
What are the key properties of 2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride?
2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride has a molecular weight of 245.07 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-[methyl(trifluoromethyl)amino]propanoyl fluoride is sourced from PubChem (CID 129208021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).