3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide

C8H11F6NO2 — CID 103310230

IUPAC3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide
SMILESCC(CO)N(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-4(3-16)15(2)6(17)5(7(9,10)11)8(12,13)14/h4-5,16H,3H2,1-2H3
InChIKeyVPORMOYBYBYKFC-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.57
Rot. Bonds3

About 3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide (PubChem CID 103310230) has the molecular formula C8H11F6NO2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide
PubChem CID103310230
Molecular FormulaC8H11F6NO2
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC Name3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide
SMILESCC(CO)N(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-4(3-16)15(2)6(17)5(7(9,10)11)8(12,13)14/h4-5,16H,3H2,1-2H3
InChIKeyVPORMOYBYBYKFC-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide (CID 103310230) is 3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide is CC(CO)N(C)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide?
The InChIKey is VPORMOYBYBYKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2/c1-4(3-16)15(2)6(17)5(7(9,10)11)8(12,13)14/h4-5,16H,3H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide has a molecular weight of 267.17 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).