N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide

C7H11F4NO3 — CID 3089776

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO3/c1-6(2-13,3-14)12-5(15)7(10,11)4(8)9/h4,13-14H,2-3H2,1H3,(H,12,15)
InChIKeyWYARUXWFXYUXLE-UHFFFAOYSA-N
MW233.16 g/mol
LogP-0.25
Rot. Bonds5

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 3089776) has the molecular formula C7H11F4NO3 and a molecular weight of 233.16 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID3089776
Molecular FormulaC7H11F4NO3
Molecular Weight233.16 g/mol
Exact Mass233.07
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO3/c1-6(2-13,3-14)12-5(15)7(10,11)4(8)9/h4,13-14H,2-3H2,1H3,(H,12,15)
InChIKeyWYARUXWFXYUXLE-UHFFFAOYSA-N
XLogP-0.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide (CID 3089776) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide is CC(CO)(CO)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is WYARUXWFXYUXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO3/c1-6(2-13,3-14)12-5(15)7(10,11)4(8)9/h4,13-14H,2-3H2,1H3,(H,12,15).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 233.16 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 3089776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).