2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide

C7H11F4NO2 — CID 105342996

IUPAC2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@@H](CO)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO2/c1-2-4(3-13)12-6(14)7(10,11)5(8)9/h4-5,13H,2-3H2,1H3,(H,12,14)/t4-/m0/s1
InChIKeyGFJYGHYKMPOPFN-BYPYZUCNSA-N
MW217.16 g/mol
LogP0.77
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide

2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide (PubChem CID 105342996) has the molecular formula C7H11F4NO2 and a molecular weight of 217.16 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide
PubChem CID105342996
Molecular FormulaC7H11F4NO2
Molecular Weight217.16 g/mol
Exact Mass217.07
IUPAC Name2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@@H](CO)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO2/c1-2-4(3-13)12-6(14)7(10,11)5(8)9/h4-5,13H,2-3H2,1H3,(H,12,14)/t4-/m0/s1
InChIKeyGFJYGHYKMPOPFN-BYPYZUCNSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 104580731
2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide
CID 103733242
2-(ethylamino)-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropanamide
CID 107221411
4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide
CID 3101689
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
CID 105342956
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
CID 113250858
2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 104855040
2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782269
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide
CID 103732426
N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
CID 143297448

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide (CID 105342996) is 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide is CC[C@@H](CO)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
The InChIKey is GFJYGHYKMPOPFN-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11F4NO2/c1-2-4(3-13)12-6(14)7(10,11)5(8)9/h4-5,13H,2-3H2,1H3,(H,12,14)/t4-/m0/s1.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide has a molecular weight of 217.16 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide is sourced from PubChem (CID 105342996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).