2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide

C7H11F4NO2 — CID 107168274

IUPAC2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
SMILESO=C(NCCCCO)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO2/c8-5(9)7(10,11)6(14)12-3-1-2-4-13/h5,13H,1-4H2,(H,12,14)
InChIKeyQDHWNFNSRXRQOX-UHFFFAOYSA-N
MW217.16 g/mol
LogP0.78
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide

2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide (PubChem CID 107168274) has the molecular formula C7H11F4NO2 and a molecular weight of 217.16 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
PubChem CID107168274
Molecular FormulaC7H11F4NO2
Molecular Weight217.16 g/mol
Exact Mass217.07
IUPAC Name2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
SMILESO=C(NCCCCO)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO2/c8-5(9)7(10,11)6(14)12-3-1-2-4-13/h5,13H,1-4H2,(H,12,14)
InChIKeyQDHWNFNSRXRQOX-UHFFFAOYSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
CID 648321
2,2,3,3-tetrafluoro-N-(3,3,3-trifluoropropyl)propanamide
CID 103734095
2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide
CID 4047638
2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
CID 110839292
3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
CID 107844083
N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
CID 103770162
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 104580731
N-(2-amino-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119627588
4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
CID 107318831
N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732092
2,2,3,3,4,4-hexafluoro-N-octadecylbutanamide
CID 4674729

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide (CID 107168274) is 2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide is O=C(NCCCCO)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide?
The InChIKey is QDHWNFNSRXRQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO2/c8-5(9)7(10,11)6(14)12-3-1-2-4-13/h5,13H,1-4H2,(H,12,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide?
2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide has a molecular weight of 217.16 g/mol, XLogP of 0.78, 6 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-(4-hydroxybutyl)propanamide is sourced from PubChem (CID 107168274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).