4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide

C8H16F2N2O3 — CID 123231332

IUPAC4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
SMILESCC(O)C(C)NC(=O)C(O)C(F)(F)CN
InChIInChI=1S/C8H16F2N2O3/c1-4(5(2)13)12-7(15)6(14)8(9,10)3-11/h4-6,13-14H,3,11H2,1-2H3,(H,12,15)
InChIKeyJVAFNEMGRWGIBL-UHFFFAOYSA-N
MW226.22 g/mol
LogP-1.17
Rot. Bonds5

About 4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide

4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide (PubChem CID 123231332) has the molecular formula C8H16F2N2O3 and a molecular weight of 226.22 g/mol. Its IUPAC name is 4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
PubChem CID123231332
Molecular FormulaC8H16F2N2O3
Molecular Weight226.22 g/mol
Exact Mass226.11
IUPAC Name4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
SMILESCC(O)C(C)NC(=O)C(O)C(F)(F)CN
InChIInChI=1S/C8H16F2N2O3/c1-4(5(2)13)12-7(15)6(14)8(9,10)3-11/h4-6,13-14H,3,11H2,1-2H3,(H,12,15)
InChIKeyJVAFNEMGRWGIBL-UHFFFAOYSA-N
XLogP-1.17
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
The IUPAC name of 4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide (CID 123231332) is 4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide.
What is the SMILES notation for 4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
The canonical SMILES for 4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide is CC(O)C(C)NC(=O)C(O)C(F)(F)CN.
What is the InChIKey of 4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
The InChIKey is JVAFNEMGRWGIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O3/c1-4(5(2)13)12-7(15)6(14)8(9,10)3-11/h4-6,13-14H,3,11H2,1-2H3,(H,12,15).
What are the key properties of 4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide?
4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide has a molecular weight of 226.22 g/mol, XLogP of -1.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide is sourced from PubChem (CID 123231332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).