4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C10H17F2NO4 — CID 107478950

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H17F2NO4/c1-6(7(2)10(16)17)9(15)13(3-4-14)5-8(11)12/h6-8,14H,3-5H2,1-2H3,(H,16,17)
InChIKeyFZWVTDBBBXFTLO-UHFFFAOYSA-N
MW253.24 g/mol
LogP0.43
Rot. Bonds7

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 107478950) 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]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID107478950
Molecular FormulaC10H17F2NO4
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H17F2NO4/c1-6(7(2)10(16)17)9(15)13(3-4-14)5-8(11)12/h6-8,14H,3-5H2,1-2H3,(H,16,17)
InChIKeyFZWVTDBBBXFTLO-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Bis(2-hydroxyethyl)amino]-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 59270002
4-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 54875573
2,2-Diethyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60951404
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60951682
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60951969
Ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 64327506
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302183
2,2-Dimethyl-4-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 65302322
2-[(4-Methoxy-3-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 80367621
2,3-Dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 103496646
4-[Butyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497733
2,3-Dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 103497735

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 107478950) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N(CCO)CC(F)F.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is FZWVTDBBBXFTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO4/c1-6(7(2)10(16)17)9(15)13(3-4-14)5-8(11)12/h6-8,14H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 253.24 g/mol, XLogP of 0.43, 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]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 107478950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).