2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

C7H10F5NO2 — CID 91733354

IUPAC2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO2/c1-5(2,3-14)13-4(15)6(8,9)7(10,11)12/h14H,3H2,1-2H3,(H,13,15)
InChIKeySRZZIOLRYMDSIP-UHFFFAOYSA-N
MW235.15 g/mol
LogP1.07
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 91733354) has the molecular formula C7H10F5NO2 and a molecular weight of 235.15 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID91733354
Molecular FormulaC7H10F5NO2
Molecular Weight235.15 g/mol
Exact Mass235.06
IUPAC Name2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO2/c1-5(2,3-14)13-4(15)6(8,9)7(10,11)12/h14H,3H2,1-2H3,(H,13,15)
InChIKeySRZZIOLRYMDSIP-UHFFFAOYSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 91733354) is 2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CC(C)(CO)NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is SRZZIOLRYMDSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO2/c1-5(2,3-14)13-4(15)6(8,9)7(10,11)12/h14H,3H2,1-2H3,(H,13,15).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 235.15 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 91733354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).