(7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine

C8H17F3N2O2S — CID 105328967

IUPAC(7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine
SMILESCC(C(CCCC(F)(F)F)NN)S(C)(=O)=O
InChIInChI=1S/C8H17F3N2O2S/c1-6(16(2,14)15)7(13-12)4-3-5-8(9,10)11/h6-7,13H,3-5,12H2,1-2H3
InChIKeySPTMTDGSPUJBMF-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.98
Rot. Bonds6

About (7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine

(7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine (PubChem CID 105328967) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is (7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine.

Molecular Properties

Compound Name(7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine
PubChem CID105328967
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC Name(7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine
SMILESCC(C(CCCC(F)(F)F)NN)S(C)(=O)=O
InChIInChI=1S/C8H17F3N2O2S/c1-6(16(2,14)15)7(13-12)4-3-5-8(9,10)11/h6-7,13H,3-5,12H2,1-2H3
InChIKeySPTMTDGSPUJBMF-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine?
The IUPAC name of (7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine (CID 105328967) is (7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine.
What is the SMILES notation for (7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine?
The canonical SMILES for (7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine is CC(C(CCCC(F)(F)F)NN)S(C)(=O)=O.
What is the InChIKey of (7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine?
The InChIKey is SPTMTDGSPUJBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-6(16(2,14)15)7(13-12)4-3-5-8(9,10)11/h6-7,13H,3-5,12H2,1-2H3.
What are the key properties of (7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine?
(7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine has a molecular weight of 262.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine is sourced from PubChem (CID 105328967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).