N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide

C9H17F2NO2 — CID 107168157

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide
SMILESCCC(CC)(CO)CNC(=O)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-3-9(4-2,6-13)5-12-8(14)7(10)11/h7,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyPRKNRAMSGBYLBD-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.17
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide (PubChem CID 107168157) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide
PubChem CID107168157
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide
SMILESCCC(CC)(CO)CNC(=O)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-3-9(4-2,6-13)5-12-8(14)7(10)11/h7,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyPRKNRAMSGBYLBD-UHFFFAOYSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide
CID 106255599
2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 103513975
2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide
CID 114164878
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
CID 103843928
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide
CID 109481380
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286
2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255258
(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
CID 119343168
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113331571
1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
CID 103842814

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide (CID 107168157) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide is CCC(CC)(CO)CNC(=O)C(F)F.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide?
The InChIKey is PRKNRAMSGBYLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-3-9(4-2,6-13)5-12-8(14)7(10)11/h7,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide has a molecular weight of 209.24 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide is sourced from PubChem (CID 107168157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).