1,3-diamino-6,6-difluorononan-5-ol

C9H20F2N2O — CID 139833577

IUPAC1,3-diamino-6,6-difluorononan-5-ol
SMILESCCCC(F)(F)C(O)CC(N)CCN
InChIInChI=1S/C9H20F2N2O/c1-2-4-9(10,11)8(14)6-7(13)3-5-12/h7-8,14H,2-6,12-13H2,1H3
InChIKeyCXJPHXMANPRSNC-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.85
Rot. Bonds7

About 1,3-diamino-6,6-difluorononan-5-ol

1,3-diamino-6,6-difluorononan-5-ol (PubChem CID 139833577) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 1,3-diamino-6,6-difluorononan-5-ol.

Molecular Properties

Compound Name1,3-diamino-6,6-difluorononan-5-ol
PubChem CID139833577
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name1,3-diamino-6,6-difluorononan-5-ol
SMILESCCCC(F)(F)C(O)CC(N)CCN
InChIInChI=1S/C9H20F2N2O/c1-2-4-9(10,11)8(14)6-7(13)3-5-12/h7-8,14H,2-6,12-13H2,1H3
InChIKeyCXJPHXMANPRSNC-UHFFFAOYSA-N
XLogP0.85
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-6,6-difluorononan-5-ol?
The IUPAC name of 1,3-diamino-6,6-difluorononan-5-ol (CID 139833577) is 1,3-diamino-6,6-difluorononan-5-ol.
What is the SMILES notation for 1,3-diamino-6,6-difluorononan-5-ol?
The canonical SMILES for 1,3-diamino-6,6-difluorononan-5-ol is CCCC(F)(F)C(O)CC(N)CCN.
What is the InChIKey of 1,3-diamino-6,6-difluorononan-5-ol?
The InChIKey is CXJPHXMANPRSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O/c1-2-4-9(10,11)8(14)6-7(13)3-5-12/h7-8,14H,2-6,12-13H2,1H3.
What are the key properties of 1,3-diamino-6,6-difluorononan-5-ol?
1,3-diamino-6,6-difluorononan-5-ol has a molecular weight of 210.27 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-6,6-difluorononan-5-ol is sourced from PubChem (CID 139833577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).