4,4-diamino-6,6-difluorononan-5-ol

C9H20F2N2O — CID 57135139

IUPAC4,4-diamino-6,6-difluorononan-5-ol
SMILESCCCC(N)(N)C(O)C(F)(F)CCC
InChIInChI=1S/C9H20F2N2O/c1-3-5-8(10,11)7(14)9(12,13)6-4-2/h7,14H,3-6,12-13H2,1-2H3
InChIKeyNZOKCKJEYOVOTD-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.20
Rot. Bonds6

About 4,4-diamino-6,6-difluorononan-5-ol

4,4-diamino-6,6-difluorononan-5-ol (PubChem CID 57135139) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 4,4-diamino-6,6-difluorononan-5-ol.

Molecular Properties

Compound Name4,4-diamino-6,6-difluorononan-5-ol
PubChem CID57135139
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name4,4-diamino-6,6-difluorononan-5-ol
SMILESCCCC(N)(N)C(O)C(F)(F)CCC
InChIInChI=1S/C9H20F2N2O/c1-3-5-8(10,11)7(14)9(12,13)6-4-2/h7,14H,3-6,12-13H2,1-2H3
InChIKeyNZOKCKJEYOVOTD-UHFFFAOYSA-N
XLogP1.20
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-diamino-6,6-difluorononan-5-ol?
The IUPAC name of 4,4-diamino-6,6-difluorononan-5-ol (CID 57135139) is 4,4-diamino-6,6-difluorononan-5-ol.
What is the SMILES notation for 4,4-diamino-6,6-difluorononan-5-ol?
The canonical SMILES for 4,4-diamino-6,6-difluorononan-5-ol is CCCC(N)(N)C(O)C(F)(F)CCC.
What is the InChIKey of 4,4-diamino-6,6-difluorononan-5-ol?
The InChIKey is NZOKCKJEYOVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O/c1-3-5-8(10,11)7(14)9(12,13)6-4-2/h7,14H,3-6,12-13H2,1-2H3.
What are the key properties of 4,4-diamino-6,6-difluorononan-5-ol?
4,4-diamino-6,6-difluorononan-5-ol has a molecular weight of 210.27 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diamino-6,6-difluorononan-5-ol is sourced from PubChem (CID 57135139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).