2,5-diamino-4,4-difluoropentanoic acid

C5H10F2N2O2 — CID 10749608

IUPAC2,5-diamino-4,4-difluoropentanoic acid
SMILESNCC(F)(F)CC(N)C(=O)O
InChIInChI=1S/C5H10F2N2O2/c6-5(7,2-8)1-3(9)4(10)11/h3H,1-2,8-9H2,(H,10,11)
InChIKeyFZQYIVPQNNKYMV-UHFFFAOYSA-N
MW168.14 g/mol
LogP-0.62
Rot. Bonds4

About 2,5-diamino-4,4-difluoropentanoic acid

2,5-diamino-4,4-difluoropentanoic acid (PubChem CID 10749608) has the molecular formula C5H10F2N2O2 and a molecular weight of 168.14 g/mol. Its IUPAC name is 2,5-diamino-4,4-difluoropentanoic acid.

Molecular Properties

Compound Name2,5-diamino-4,4-difluoropentanoic acid
PubChem CID10749608
Molecular FormulaC5H10F2N2O2
Molecular Weight168.14 g/mol
Exact Mass168.07
IUPAC Name2,5-diamino-4,4-difluoropentanoic acid
SMILESNCC(F)(F)CC(N)C(=O)O
InChIInChI=1S/C5H10F2N2O2/c6-5(7,2-8)1-3(9)4(10)11/h3H,1-2,8-9H2,(H,10,11)
InChIKeyFZQYIVPQNNKYMV-UHFFFAOYSA-N
XLogP-0.62
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4,4-difluoropentanoic acid?
The IUPAC name of 2,5-diamino-4,4-difluoropentanoic acid (CID 10749608) is 2,5-diamino-4,4-difluoropentanoic acid.
What is the SMILES notation for 2,5-diamino-4,4-difluoropentanoic acid?
The canonical SMILES for 2,5-diamino-4,4-difluoropentanoic acid is NCC(F)(F)CC(N)C(=O)O.
What is the InChIKey of 2,5-diamino-4,4-difluoropentanoic acid?
The InChIKey is FZQYIVPQNNKYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2/c6-5(7,2-8)1-3(9)4(10)11/h3H,1-2,8-9H2,(H,10,11).
What are the key properties of 2,5-diamino-4,4-difluoropentanoic acid?
2,5-diamino-4,4-difluoropentanoic acid has a molecular weight of 168.14 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4,4-difluoropentanoic acid is sourced from PubChem (CID 10749608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).