N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide

C12H22F3NO3 — CID 111480418

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H22F3NO3/c1-8(17)5-11(3,4)6-16-10(18)9(2)19-7-12(13,14)15/h8-9,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyJQRRIKKAUSRVAB-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.87
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 111480418) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID111480418
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H22F3NO3/c1-8(17)5-11(3,4)6-16-10(18)9(2)19-7-12(13,14)15/h8-9,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyJQRRIKKAUSRVAB-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide
CID 90147942
N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209117
N-(2-hydroxy-2,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209126
N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103725737
2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103733867
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103761280
N-(2-hydroxypentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103770680
3,3,3-trifluoro-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771140
N-(2-hydroxy-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103771251
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103772576
N-(2-hydroxy-3-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103772844
N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103772857

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 111480418) is N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(O)CC(C)(C)CNC(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JQRRIKKAUSRVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-8(17)5-11(3,4)6-16-10(18)9(2)19-7-12(13,14)15/h8-9,17H,5-7H2,1-4H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 285.31 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 111480418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).