(2S)-2-(fluorodiazenyl)propan-1-ol

C3H7FN2O — CID 121321174

IUPAC(2S)-2-(fluorodiazenyl)propan-1-ol
SMILESC[C@@H](CO)/N=N/F
InChIInChI=1S/C3H7FN2O/c1-3(2-7)5-6-4/h3,7H,2H2,1H3/b6-5+/t3-/m0/s1
InChIKeyFKNPMXCIIFFMKQ-LIMYHCBMSA-N
MW106.10 g/mol
LogP0.70
Rot. Bonds2

About (2S)-2-(fluorodiazenyl)propan-1-ol

(2S)-2-(fluorodiazenyl)propan-1-ol (PubChem CID 121321174) has the molecular formula C3H7FN2O and a molecular weight of 106.10 g/mol. Its IUPAC name is (2S)-2-(fluorodiazenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(fluorodiazenyl)propan-1-ol
PubChem CID121321174
Molecular FormulaC3H7FN2O
Molecular Weight106.10 g/mol
Exact Mass106.05
IUPAC Name(2S)-2-(fluorodiazenyl)propan-1-ol
SMILESC[C@@H](CO)/N=N/F
InChIInChI=1S/C3H7FN2O/c1-3(2-7)5-6-4/h3,7H,2H2,1H3/b6-5+/t3-/m0/s1
InChIKeyFKNPMXCIIFFMKQ-LIMYHCBMSA-N
XLogP0.70
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluorodiazenyl)propan-1-ol?
The IUPAC name of (2S)-2-(fluorodiazenyl)propan-1-ol (CID 121321174) is (2S)-2-(fluorodiazenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-(fluorodiazenyl)propan-1-ol?
The canonical SMILES for (2S)-2-(fluorodiazenyl)propan-1-ol is C[C@@H](CO)/N=N/F.
What is the InChIKey of (2S)-2-(fluorodiazenyl)propan-1-ol?
The InChIKey is FKNPMXCIIFFMKQ-LIMYHCBMSA-N. The full InChI is InChI=1S/C3H7FN2O/c1-3(2-7)5-6-4/h3,7H,2H2,1H3/b6-5+/t3-/m0/s1.
What are the key properties of (2S)-2-(fluorodiazenyl)propan-1-ol?
(2S)-2-(fluorodiazenyl)propan-1-ol has a molecular weight of 106.10 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluorodiazenyl)propan-1-ol is sourced from PubChem (CID 121321174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).