(2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide

C6H8F8N4O2 — CID 98463171

IUPAC(2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide
SMILESNNC(=O)[C@](O)(NN)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H8F8N4O2/c7-1(8)3(9,10)5(11,12)6(13,14)4(20,18-16)2(19)17-15/h1,18,20H,15-16H2,(H,17,19)/t4-/m1/s1
InChIKeyCJKRTRPMCVYKIS-SCSAIBSYSA-N
MW320.14 g/mol
LogP-0.70
Rot. Bonds6

About (2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide

(2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide (PubChem CID 98463171) has the molecular formula C6H8F8N4O2 and a molecular weight of 320.14 g/mol. Its IUPAC name is (2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide.

Molecular Properties

Compound Name(2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide
PubChem CID98463171
Molecular FormulaC6H8F8N4O2
Molecular Weight320.14 g/mol
Exact Mass320.05
IUPAC Name(2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide
SMILESNNC(=O)[C@](O)(NN)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H8F8N4O2/c7-1(8)3(9,10)5(11,12)6(13,14)4(20,18-16)2(19)17-15/h1,18,20H,15-16H2,(H,17,19)/t4-/m1/s1
InChIKeyCJKRTRPMCVYKIS-SCSAIBSYSA-N
XLogP-0.70
TPSA113.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide?
The IUPAC name of (2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide (CID 98463171) is (2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide.
What is the SMILES notation for (2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide?
The canonical SMILES for (2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide is NNC(=O)[C@](O)(NN)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of (2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide?
The InChIKey is CJKRTRPMCVYKIS-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8F8N4O2/c7-1(8)3(9,10)5(11,12)6(13,14)4(20,18-16)2(19)17-15/h1,18,20H,15-16H2,(H,17,19)/t4-/m1/s1.
What are the key properties of (2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide?
(2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide has a molecular weight of 320.14 g/mol, XLogP of -0.70, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,4,4,5,5,6,6-octafluoro-2-hydrazinyl-2-hydroxyhexanehydrazide is sourced from PubChem (CID 98463171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).