3-amino-5,5-difluoro-2-hydroxyhexanoic acid

C6H11F2NO3 — CID 87591233

IUPAC3-amino-5,5-difluoro-2-hydroxyhexanoic acid
SMILESCC(F)(F)CC(N)C(O)C(=O)O
InChIInChI=1S/C6H11F2NO3/c1-6(7,8)2-3(9)4(10)5(11)12/h3-4,10H,2,9H2,1H3,(H,11,12)
InChIKeyQMSPTRNYAPQQJV-UHFFFAOYSA-N
MW183.15 g/mol
LogP-0.20
Rot. Bonds4

About 3-amino-5,5-difluoro-2-hydroxyhexanoic acid

3-amino-5,5-difluoro-2-hydroxyhexanoic acid (PubChem CID 87591233) has the molecular formula C6H11F2NO3 and a molecular weight of 183.15 g/mol. Its IUPAC name is 3-amino-5,5-difluoro-2-hydroxyhexanoic acid.

Molecular Properties

Compound Name3-amino-5,5-difluoro-2-hydroxyhexanoic acid
PubChem CID87591233
Molecular FormulaC6H11F2NO3
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Name3-amino-5,5-difluoro-2-hydroxyhexanoic acid
SMILESCC(F)(F)CC(N)C(O)C(=O)O
InChIInChI=1S/C6H11F2NO3/c1-6(7,8)2-3(9)4(10)5(11)12/h3-4,10H,2,9H2,1H3,(H,11,12)
InChIKeyQMSPTRNYAPQQJV-UHFFFAOYSA-N
XLogP-0.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-difluoro-2-hydroxyhexanoic acid?
The IUPAC name of 3-amino-5,5-difluoro-2-hydroxyhexanoic acid (CID 87591233) is 3-amino-5,5-difluoro-2-hydroxyhexanoic acid.
What is the SMILES notation for 3-amino-5,5-difluoro-2-hydroxyhexanoic acid?
The canonical SMILES for 3-amino-5,5-difluoro-2-hydroxyhexanoic acid is CC(F)(F)CC(N)C(O)C(=O)O.
What is the InChIKey of 3-amino-5,5-difluoro-2-hydroxyhexanoic acid?
The InChIKey is QMSPTRNYAPQQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3/c1-6(7,8)2-3(9)4(10)5(11)12/h3-4,10H,2,9H2,1H3,(H,11,12).
What are the key properties of 3-amino-5,5-difluoro-2-hydroxyhexanoic acid?
3-amino-5,5-difluoro-2-hydroxyhexanoic acid has a molecular weight of 183.15 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-difluoro-2-hydroxyhexanoic acid is sourced from PubChem (CID 87591233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).