N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H11F6NO3 — CID 103310222

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCC(CO)(CO)NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO3/c1-6(2-16,3-17)15-5(18)4(7(9,10)11)8(12,13)14/h4,16-17H,2-3H2,1H3,(H,15,18)
InChIKeyZVDZPSYNHMGHQX-UHFFFAOYSA-N
MW283.17 g/mol
LogP0.59
Rot. Bonds4

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310222) has the molecular formula C8H11F6NO3 and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310222
Molecular FormulaC8H11F6NO3
Molecular Weight283.17 g/mol
Exact Mass283.06
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCC(CO)(CO)NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO3/c1-6(2-16,3-17)15-5(18)4(7(9,10)11)8(12,13)14/h4,16-17H,2-3H2,1H3,(H,15,18)
InChIKeyZVDZPSYNHMGHQX-UHFFFAOYSA-N
XLogP0.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310222) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CC(CO)(CO)NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is ZVDZPSYNHMGHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO3/c1-6(2-16,3-17)15-5(18)4(7(9,10)11)8(12,13)14/h4,16-17H,2-3H2,1H3,(H,15,18).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 283.17 g/mol, XLogP of 0.59, 4 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)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).