formic acid;2,2,3,3-tetrafluoropropanamide

C4H5F4NO3 — CID 174655254

IUPACformic acid;2,2,3,3-tetrafluoropropanamide
SMILESNC(=O)C(F)(F)C(F)F.O=CO
InChIInChI=1S/C3H3F4NO.CH2O2/c4-1(5)3(6,7)2(8)9;2-1-3/h1H,(H2,8,9);1H,(H,2,3)
InChIKeyCGIHUGQMPJQTPD-UHFFFAOYSA-N
MW191.08 g/mol
LogP0.07
Rot. Bonds2

About formic acid;2,2,3,3-tetrafluoropropanamide

formic acid;2,2,3,3-tetrafluoropropanamide (PubChem CID 174655254) has the molecular formula C4H5F4NO3 and a molecular weight of 191.08 g/mol. Its IUPAC name is formic acid;2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound Nameformic acid;2,2,3,3-tetrafluoropropanamide
PubChem CID174655254
Molecular FormulaC4H5F4NO3
Molecular Weight191.08 g/mol
Exact Mass191.02
IUPAC Nameformic acid;2,2,3,3-tetrafluoropropanamide
SMILESNC(=O)C(F)(F)C(F)F.O=CO
InChIInChI=1S/C3H3F4NO.CH2O2/c4-1(5)3(6,7)2(8)9;2-1-3/h1H,(H2,8,9);1H,(H,2,3)
InChIKeyCGIHUGQMPJQTPD-UHFFFAOYSA-N
XLogP0.07
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.08
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;2,2,3,3-tetrafluoropropanamide?
The IUPAC name of formic acid;2,2,3,3-tetrafluoropropanamide (CID 174655254) is formic acid;2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for formic acid;2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for formic acid;2,2,3,3-tetrafluoropropanamide is NC(=O)C(F)(F)C(F)F.O=CO.
What is the InChIKey of formic acid;2,2,3,3-tetrafluoropropanamide?
The InChIKey is CGIHUGQMPJQTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F4NO.CH2O2/c4-1(5)3(6,7)2(8)9;2-1-3/h1H,(H2,8,9);1H,(H,2,3).
What are the key properties of formic acid;2,2,3,3-tetrafluoropropanamide?
formic acid;2,2,3,3-tetrafluoropropanamide has a molecular weight of 191.08 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 174655254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).