4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

C6H8F5NO2 — CID 169172809

IUPAC4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(NCC(F)(F)F)C(O)CC(F)F
InChIInChI=1S/C6H8F5NO2/c7-4(8)1-3(13)5(14)12-2-6(9,10)11/h3-4,13H,1-2H2,(H,12,14)
InChIKeyDHHQCDANBRDBEM-UHFFFAOYSA-N
MW221.12 g/mol
LogP0.68
Rot. Bonds4

About 4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 169172809) has the molecular formula C6H8F5NO2 and a molecular weight of 221.12 g/mol. Its IUPAC name is 4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID169172809
Molecular FormulaC6H8F5NO2
Molecular Weight221.12 g/mol
Exact Mass221.05
IUPAC Name4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(NCC(F)(F)F)C(O)CC(F)F
InChIInChI=1S/C6H8F5NO2/c7-4(8)1-3(13)5(14)12-2-6(9,10)11/h3-4,13H,1-2H2,(H,12,14)
InChIKeyDHHQCDANBRDBEM-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (CID 169172809) is 4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is O=C(NCC(F)(F)F)C(O)CC(F)F.
What is the InChIKey of 4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is DHHQCDANBRDBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO2/c7-4(8)1-3(13)5(14)12-2-6(9,10)11/h3-4,13H,1-2H2,(H,12,14).
What are the key properties of 4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 221.12 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 169172809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).