3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide

C10H15F6NO2 — CID 107844083

IUPAC3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
SMILESO=C(NCCCCCCO)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-5-3-1-2-4-6-18/h7,18H,1-6H2,(H,17,19)
InChIKeyUUXBPHPLGJLJCA-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.40
Rot. Bonds7

About 3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide (PubChem CID 107844083) has the molecular formula C10H15F6NO2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
PubChem CID107844083
Molecular FormulaC10H15F6NO2
Molecular Weight295.22 g/mol
Exact Mass295.10
IUPAC Name3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
SMILESO=C(NCCCCCCO)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-5-3-1-2-4-6-18/h7,18H,1-6H2,(H,17,19)
InChIKeyUUXBPHPLGJLJCA-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748453
(2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 126822721
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
CID 107318831
2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
CID 107168274
2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
CID 648321
N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 107319030
N-(5-hydroxypentyl)-2-methylsulfonylpropanamide
CID 107318586
2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate
CID 103918683
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide (CID 107844083) is 3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide is O=C(NCCCCCCO)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide?
The InChIKey is UUXBPHPLGJLJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-5-3-1-2-4-6-18/h7,18H,1-6H2,(H,17,19).
What are the key properties of 3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide has a molecular weight of 295.22 g/mol, XLogP of 2.40, 7 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-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 107844083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).