3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide

C9H13F6NO3 — CID 103310159

IUPAC3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide
SMILESCOCC(O)CN(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO3/c1-16(3-5(17)4-19-2)7(18)6(8(10,11)12)9(13,14)15/h5-6,17H,3-4H2,1-2H3
InChIKeyOWWRMHDQLAPTLG-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.19
Rot. Bonds5

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

3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide (PubChem CID 103310159) has the molecular formula C9H13F6NO3 and a molecular weight of 297.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide
PubChem CID103310159
Molecular FormulaC9H13F6NO3
Molecular Weight297.20 g/mol
Exact Mass297.08
IUPAC Name3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide
SMILESCOCC(O)CN(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO3/c1-16(3-5(17)4-19-2)7(18)6(8(10,11)12)9(13,14)15/h5-6,17H,3-4H2,1-2H3
InChIKeyOWWRMHDQLAPTLG-UHFFFAOYSA-N
XLogP1.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103747204
3-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-oxobutanoic acid
CID 64895957
2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107769331
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
CID 64678232
1-methoxy-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 62015935
2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 114291307
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 79810651
2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 75392163
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79800977

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide (CID 103310159) is 3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide is COCC(O)CN(C)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide?
The InChIKey is OWWRMHDQLAPTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO3/c1-16(3-5(17)4-19-2)7(18)6(8(10,11)12)9(13,14)15/h5-6,17H,3-4H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide has a molecular weight of 297.20 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).