N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide

C11H20F3NO3 — CID 103770915

IUPACN-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CC(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-8(2)5-9(16)6-15-10(17)3-4-18-7-11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyFMJTYLJSCMJVIO-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.48
Rot. Bonds8

About N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103770915) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103770915
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CC(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-8(2)5-9(16)6-15-10(17)3-4-18-7-11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyFMJTYLJSCMJVIO-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.48
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

N-(2-chloro-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107157536
N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103512606
3-methyl-2-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]butanoic acid
CID 65215233
2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide
CID 107362626
N-(2-bromo-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107156756
N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212739
4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465
N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
CID 115410172
2-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 107832677
6-[(2-hydroxy-4-methylpentyl)amino]-6-oxohexanoic acid
CID 107151219
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103771590
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103770915) is N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)CC(O)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is FMJTYLJSCMJVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-8(2)5-9(16)6-15-10(17)3-4-18-7-11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 271.28 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103770915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).