3-chloro-2,2,3,3-tetrafluoropropanamide

C3H2ClF4NO — CID 4611966

IUPAC3-chloro-2,2,3,3-tetrafluoropropanamide
SMILESNC(=O)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C3H2ClF4NO/c4-3(7,8)2(5,6)1(9)10/h(H2,9,10)
InChIKeySGTJLAPLNYKTFL-UHFFFAOYSA-N
MW179.50 g/mol
LogP0.94
Rot. Bonds2

About 3-chloro-2,2,3,3-tetrafluoropropanamide

3-chloro-2,2,3,3-tetrafluoropropanamide (PubChem CID 4611966) has the molecular formula C3H2ClF4NO and a molecular weight of 179.50 g/mol. Its IUPAC name is 3-chloro-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound Name3-chloro-2,2,3,3-tetrafluoropropanamide
PubChem CID4611966
Molecular FormulaC3H2ClF4NO
Molecular Weight179.50 g/mol
Exact Mass178.98
IUPAC Name3-chloro-2,2,3,3-tetrafluoropropanamide
SMILESNC(=O)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C3H2ClF4NO/c4-3(7,8)2(5,6)1(9)10/h(H2,9,10)
InChIKeySGTJLAPLNYKTFL-UHFFFAOYSA-N
XLogP0.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.50
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of 3-chloro-2,2,3,3-tetrafluoropropanamide (CID 4611966) is 3-chloro-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for 3-chloro-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for 3-chloro-2,2,3,3-tetrafluoropropanamide is NC(=O)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 3-chloro-2,2,3,3-tetrafluoropropanamide?
The InChIKey is SGTJLAPLNYKTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClF4NO/c4-3(7,8)2(5,6)1(9)10/h(H2,9,10).
What are the key properties of 3-chloro-2,2,3,3-tetrafluoropropanamide?
3-chloro-2,2,3,3-tetrafluoropropanamide has a molecular weight of 179.50 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 4611966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).