2,6-diamino-5,5-difluorohexanoic acid

C6H12F2N2O2 — CID 14656790

IUPAC2,6-diamino-5,5-difluorohexanoic acid
SMILESNCC(F)(F)CCC(N)C(=O)O
InChIInChI=1S/C6H12F2N2O2/c7-6(8,3-9)2-1-4(10)5(11)12/h4H,1-3,9-10H2,(H,11,12)
InChIKeyUMKVHRBXXOWEPJ-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.23
Rot. Bonds5

About 2,6-diamino-5,5-difluorohexanoic acid

2,6-diamino-5,5-difluorohexanoic acid (PubChem CID 14656790) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2,6-diamino-5,5-difluorohexanoic acid.

Molecular Properties

Compound Name2,6-diamino-5,5-difluorohexanoic acid
PubChem CID14656790
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name2,6-diamino-5,5-difluorohexanoic acid
SMILESNCC(F)(F)CCC(N)C(=O)O
InChIInChI=1S/C6H12F2N2O2/c7-6(8,3-9)2-1-4(10)5(11)12/h4H,1-3,9-10H2,(H,11,12)
InChIKeyUMKVHRBXXOWEPJ-UHFFFAOYSA-N
XLogP-0.23
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5,5-difluorohexanoic acid?
The IUPAC name of 2,6-diamino-5,5-difluorohexanoic acid (CID 14656790) is 2,6-diamino-5,5-difluorohexanoic acid.
What is the SMILES notation for 2,6-diamino-5,5-difluorohexanoic acid?
The canonical SMILES for 2,6-diamino-5,5-difluorohexanoic acid is NCC(F)(F)CCC(N)C(=O)O.
What is the InChIKey of 2,6-diamino-5,5-difluorohexanoic acid?
The InChIKey is UMKVHRBXXOWEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c7-6(8,3-9)2-1-4(10)5(11)12/h4H,1-3,9-10H2,(H,11,12).
What are the key properties of 2,6-diamino-5,5-difluorohexanoic acid?
2,6-diamino-5,5-difluorohexanoic acid has a molecular weight of 182.17 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5,5-difluorohexanoic acid is sourced from PubChem (CID 14656790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).