2,3,3-trifluoropropanamide

C3H4F3NO — CID 21076268

IUPAC2,3,3-trifluoropropanamide
SMILESNC(=O)C(F)C(F)F
InChIInChI=1S/C3H4F3NO/c4-1(2(5)6)3(7)8/h1-2H,(H2,7,8)
InChIKeyOEEFKWJYZROAMR-UHFFFAOYSA-N
MW127.06 g/mol
LogP0.07
Rot. Bonds2

About 2,3,3-trifluoropropanamide

2,3,3-trifluoropropanamide (PubChem CID 21076268) has the molecular formula C3H4F3NO and a molecular weight of 127.06 g/mol. Its IUPAC name is 2,3,3-trifluoropropanamide.

Molecular Properties

Compound Name2,3,3-trifluoropropanamide
PubChem CID21076268
Molecular FormulaC3H4F3NO
Molecular Weight127.06 g/mol
Exact Mass127.02
IUPAC Name2,3,3-trifluoropropanamide
SMILESNC(=O)C(F)C(F)F
InChIInChI=1S/C3H4F3NO/c4-1(2(5)6)3(7)8/h1-2H,(H2,7,8)
InChIKeyOEEFKWJYZROAMR-UHFFFAOYSA-N
XLogP0.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.06
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoropropanamide?
The IUPAC name of 2,3,3-trifluoropropanamide (CID 21076268) is 2,3,3-trifluoropropanamide.
What is the SMILES notation for 2,3,3-trifluoropropanamide?
The canonical SMILES for 2,3,3-trifluoropropanamide is NC(=O)C(F)C(F)F.
What is the InChIKey of 2,3,3-trifluoropropanamide?
The InChIKey is OEEFKWJYZROAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO/c4-1(2(5)6)3(7)8/h1-2H,(H2,7,8).
What are the key properties of 2,3,3-trifluoropropanamide?
2,3,3-trifluoropropanamide has a molecular weight of 127.06 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoropropanamide is sourced from PubChem (CID 21076268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).