4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide

C9H18F2N2O2 — CID 107479371

IUPAC4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O2/c1-7(5-12)4-9(15)13(2-3-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3
InChIKeyPBWDMSQUIBFZNE-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.06
Rot. Bonds7

About 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide

4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 107479371) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID107479371
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O2/c1-7(5-12)4-9(15)13(2-3-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3
InChIKeyPBWDMSQUIBFZNE-UHFFFAOYSA-N
XLogP0.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 107483272
4-amino-3-methyl-N,N-dipropylbutanamide
CID 81070980
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 107494882
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 81086515
ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107483466
N-(2,2-difluoroethyl)-2-(ethylamino)-N-(2-hydroxyethyl)acetamide
CID 107479472
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591084
4-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102862103
2-[2-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107479418
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride
CID 120591334
4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
CID 81087572
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 107478961

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide (CID 107479371) is 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide is CC(CN)CC(=O)N(CCO)CC(F)F.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is PBWDMSQUIBFZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-7(5-12)4-9(15)13(2-3-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide?
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 224.25 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 107479371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).