2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide

C9H18F2N2O2 — CID 106176681

IUPAC2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H18F2N2O2/c1-8(2,3)6(12)7(15)13-4-9(10,11)5-14/h6,14H,4-5,12H2,1-3H3,(H,13,15)
InChIKeyBJHISQVXYKEMBT-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.10
Rot. Bonds4

About 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide

2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide (PubChem CID 106176681) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide
PubChem CID106176681
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H18F2N2O2/c1-8(2,3)6(12)7(15)13-4-9(10,11)5-14/h6,14H,4-5,12H2,1-3H3,(H,13,15)
InChIKeyBJHISQVXYKEMBT-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
N-(t-butyl)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907255
(2S)-N,3,3-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 12054385
2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 76988357
2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide
CID 87622940
N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide
CID 145466442
4,4,4-Trifluoro-3,3-dimethyl-2-(propanoylamino)butanamide
CID 154027592
(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166893695
3,3-Dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166893697
2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 169193243
(2S)-2-[(2,2-difluoroacetyl)amino]-3,3-dimethylbutanamide
CID 169595886
N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide
CID 171733416

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide (CID 106176681) is 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCC(F)(F)CO.
What is the InChIKey of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide?
The InChIKey is BJHISQVXYKEMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-8(2,3)6(12)7(15)13-4-9(10,11)5-14/h6,14H,4-5,12H2,1-3H3,(H,13,15).
What are the key properties of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide?
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide has a molecular weight of 224.25 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 106176681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).