4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C10H17F2NO4 — CID 107478968

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N(CCO)CC(F)F)C(=O)O
InChIInChI=1S/C10H17F2NO4/c1-10(2,9(16)17)5-8(15)13(3-4-14)6-7(11)12/h7,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyREVOJBXRUPZMMC-UHFFFAOYSA-N
MW253.24 g/mol
LogP0.57
Rot. Bonds7

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 107478968) has the molecular formula C10H17F2NO4 and a molecular weight of 253.24 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID107478968
Molecular FormulaC10H17F2NO4
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N(CCO)CC(F)F)C(=O)O
InChIInChI=1S/C10H17F2NO4/c1-10(2,9(16)17)5-8(15)13(3-4-14)6-7(11)12/h7,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyREVOJBXRUPZMMC-UHFFFAOYSA-N
XLogP0.57
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 107478968) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)N(CCO)CC(F)F)C(=O)O.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is REVOJBXRUPZMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO4/c1-10(2,9(16)17)5-8(15)13(3-4-14)6-7(11)12/h7,14H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 253.24 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 107478968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).