N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide

C6H9F4NO3 — CID 104580731

IUPACN-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NC(CO)CO)C(F)(F)C(F)F
InChIInChI=1S/C6H9F4NO3/c7-4(8)6(9,10)5(14)11-3(1-12)2-13/h3-4,12-13H,1-2H2,(H,11,14)
InChIKeyYHDYNLIEABJXDR-UHFFFAOYSA-N
MW219.13 g/mol
LogP-0.64
Rot. Bonds5

About N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide

N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 104580731) has the molecular formula C6H9F4NO3 and a molecular weight of 219.13 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID104580731
Molecular FormulaC6H9F4NO3
Molecular Weight219.13 g/mol
Exact Mass219.05
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NC(CO)CO)C(F)(F)C(F)F
InChIInChI=1S/C6H9F4NO3/c7-4(8)6(9,10)5(14)11-3(1-12)2-13/h3-4,12-13H,1-2H2,(H,11,14)
InChIKeyYHDYNLIEABJXDR-UHFFFAOYSA-N
XLogP-0.64
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-(1-hydroxybutan-2-yl)propanamide
CID 103944341
2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 105342996
2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782269
2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 104855040
2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide
CID 103733242
2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
CID 107168274
2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide
CID 103732426
N-(1,4-dihydroxypentan-2-yl)-2,2,2-trifluoroacetamide
CID 123267888
2,2,3,3-tetrafluoro-N-(3,3,3-trifluoropropyl)propanamide
CID 103734095
5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid
CID 114032465
3-phenyl-3-(2,2,3,3-tetrafluoropropanoylamino)propanoic acid
CID 103804023
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
CID 113250858

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide (CID 104580731) is N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide is O=C(NC(CO)CO)C(F)(F)C(F)F.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is YHDYNLIEABJXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4NO3/c7-4(8)6(9,10)5(14)11-3(1-12)2-13/h3-4,12-13H,1-2H2,(H,11,14).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 219.13 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 104580731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).