N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide

C9H16F3NO3 — CID 65031880

IUPACN-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CO)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(5-14)4-13-8(15)2-3-16-6-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15)
InChIKeyWFBDUNLTARKXLN-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.70
Rot. Bonds7

About N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 65031880) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID65031880
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CO)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(5-14)4-13-8(15)2-3-16-6-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15)
InChIKeyWFBDUNLTARKXLN-UHFFFAOYSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-2,2-dimethyl-N-propylpropanamide
CID 58461027
(2R)-3-hydroxy-2-methyl-N-(2-methylpropyl)propanamide
CID 131228948
N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide
CID 58502648
2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031818
2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide
CID 89143805
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123
N-(2-fluoro-3-hydroxypropyl)-2,2-dimethylpropanamide
CID 117797884
2-methyl-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)propanamide
CID 132250257
N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide
CID 144653432
3-methoxy-2-methyl-N-(1,1,1-trifluoropropan-2-yl)propanamide
CID 144653521
3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 146353481
3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide
CID 155152835

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 65031880) is N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(CO)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is WFBDUNLTARKXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-7(5-14)4-13-8(15)2-3-16-6-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 243.22 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 65031880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).