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

C11H20F3NO3 — CID 113237941

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(C)CC(O)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-10(2,3)4-8(16)5-15-9(17)6-18-7-11(12,13)14/h8,16H,4-7H2,1-3H3,(H,15,17)
InChIKeyVEMNIVDQVVYMDA-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.48
Rot. Bonds6

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

N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 113237941) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID113237941
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(C)CC(O)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-10(2,3)4-8(16)5-15-9(17)6-18-7-11(12,13)14/h8,16H,4-7H2,1-3H3,(H,15,17)
InChIKeyVEMNIVDQVVYMDA-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

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-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209173
N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103711849
N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103712043
N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103718215
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
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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 113237941) is N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)(C)CC(O)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is VEMNIVDQVVYMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-10(2,3)4-8(16)5-15-9(17)6-18-7-11(12,13)14/h8,16H,4-7H2,1-3H3,(H,15,17).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 271.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 113237941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).