2,4,5,5-tetrafluoropent-2-enamide

C5H5F4NO — CID 175508382

IUPAC2,4,5,5-tetrafluoropent-2-enamide
SMILESNC(=O)C(F)=CC(F)C(F)F
InChIInChI=1S/C5H5F4NO/c6-2(4(8)9)1-3(7)5(10)11/h1-2,4H,(H2,10,11)
InChIKeyWHRQSMXPLMHVJK-UHFFFAOYSA-N
MW171.09 g/mol
LogP0.93
Rot. Bonds3

About 2,4,5,5-tetrafluoropent-2-enamide

2,4,5,5-tetrafluoropent-2-enamide (PubChem CID 175508382) has the molecular formula C5H5F4NO and a molecular weight of 171.09 g/mol. Its IUPAC name is 2,4,5,5-tetrafluoropent-2-enamide.

Molecular Properties

Compound Name2,4,5,5-tetrafluoropent-2-enamide
PubChem CID175508382
Molecular FormulaC5H5F4NO
Molecular Weight171.09 g/mol
Exact Mass171.03
IUPAC Name2,4,5,5-tetrafluoropent-2-enamide
SMILESNC(=O)C(F)=CC(F)C(F)F
InChIInChI=1S/C5H5F4NO/c6-2(4(8)9)1-3(7)5(10)11/h1-2,4H,(H2,10,11)
InChIKeyWHRQSMXPLMHVJK-UHFFFAOYSA-N
XLogP0.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.09
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,5-tetrafluoropent-2-enamide?
The IUPAC name of 2,4,5,5-tetrafluoropent-2-enamide (CID 175508382) is 2,4,5,5-tetrafluoropent-2-enamide.
What is the SMILES notation for 2,4,5,5-tetrafluoropent-2-enamide?
The canonical SMILES for 2,4,5,5-tetrafluoropent-2-enamide is NC(=O)C(F)=CC(F)C(F)F.
What is the InChIKey of 2,4,5,5-tetrafluoropent-2-enamide?
The InChIKey is WHRQSMXPLMHVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F4NO/c6-2(4(8)9)1-3(7)5(10)11/h1-2,4H,(H2,10,11).
What are the key properties of 2,4,5,5-tetrafluoropent-2-enamide?
2,4,5,5-tetrafluoropent-2-enamide has a molecular weight of 171.09 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,5-tetrafluoropent-2-enamide is sourced from PubChem (CID 175508382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).