5-fluoroazocane-4,4-diol

C7H14FNO2 — CID 166878743

IUPAC5-fluoroazocane-4,4-diol
SMILESOC1(O)CCNCCCC1F
InChIInChI=1S/C7H14FNO2/c8-6-2-1-4-9-5-3-7(6,10)11/h6,9-11H,1-5H2
InChIKeyUQLQDRZNTNCEID-UHFFFAOYSA-N
MW163.19 g/mol
LogP-0.22
Rot. Bonds

About 5-fluoroazocane-4,4-diol

5-fluoroazocane-4,4-diol (PubChem CID 166878743) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 5-fluoroazocane-4,4-diol.

Molecular Properties

Compound Name5-fluoroazocane-4,4-diol
PubChem CID166878743
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name5-fluoroazocane-4,4-diol
SMILESOC1(O)CCNCCCC1F
InChIInChI=1S/C7H14FNO2/c8-6-2-1-4-9-5-3-7(6,10)11/h6,9-11H,1-5H2
InChIKeyUQLQDRZNTNCEID-UHFFFAOYSA-N
XLogP-0.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-0.22
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 5-fluoroazocane-4,4-diol?
The IUPAC name of 5-fluoroazocane-4,4-diol (CID 166878743) is 5-fluoroazocane-4,4-diol.
What is the SMILES notation for 5-fluoroazocane-4,4-diol?
The canonical SMILES for 5-fluoroazocane-4,4-diol is OC1(O)CCNCCCC1F.
What is the InChIKey of 5-fluoroazocane-4,4-diol?
The InChIKey is UQLQDRZNTNCEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c8-6-2-1-4-9-5-3-7(6,10)11/h6,9-11H,1-5H2.
What are the key properties of 5-fluoroazocane-4,4-diol?
5-fluoroazocane-4,4-diol has a molecular weight of 163.19 g/mol, XLogP of -0.22, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoroazocane-4,4-diol is sourced from PubChem (CID 166878743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).