3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide

C9H13F6NO2 — CID 103310221

IUPAC3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide
SMILESCC(C)(CO)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-7(2,4-17)3-16-6(18)5(8(10,11)12)9(13,14)15/h5,17H,3-4H2,1-2H3,(H,16,18)
InChIKeyUADOGEQJVGCEAH-UHFFFAOYSA-N
MW281.20 g/mol
LogP1.86
Rot. Bonds4

About 3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide (PubChem CID 103310221) has the molecular formula C9H13F6NO2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide
PubChem CID103310221
Molecular FormulaC9H13F6NO2
Molecular Weight281.20 g/mol
Exact Mass281.09
IUPAC Name3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide
SMILESCC(C)(CO)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-7(2,4-17)3-16-6(18)5(8(10,11)12)9(13,14)15/h5,17H,3-4H2,1-2H3,(H,16,18)
InChIKeyUADOGEQJVGCEAH-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031818
N-(1-fluoro-3-hydroxypropyl)propanamide
CID 88784175
2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 88970157
2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide
CID 89143805
2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)-2-methylpropanamide
CID 89228546
N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104857086
N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857135
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123
N-(2-fluoro-3-hydroxypropyl)-2,2-dimethylpropanamide
CID 117797884
N-(2-fluoro-3-hydroxypropyl)-2-methylpropanamide
CID 117861078
N-(2-fluoro-3-hydroxypropyl)propanamide
CID 117969498

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide (CID 103310221) is 3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide is CC(C)(CO)CNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide?
The InChIKey is UADOGEQJVGCEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO2/c1-7(2,4-17)3-16-6(18)5(8(10,11)12)9(13,14)15/h5,17H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide has a molecular weight of 281.20 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).