(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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Related Compounds

2-methylsulfonylnonan-3-ylhydrazine
CID 105294018
6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine
CID 104992848
(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
CID 105329070
6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine
CID 104992670
2-methylsulfonylhept-6-en-3-ylhydrazine
CID 105311583
(8,8,8-trifluoro-2-methyloctan-4-yl)hydrazine
CID 105198922
(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine
CID 105248920
1,1,1,6,6,6-hexafluorohexan-2-ylhydrazine
CID 105215662
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
methyl (2R)-2-amino-6,6,6-trifluorohexanoate
CID 122585346
8,8,8-trifluorooctan-4-ylhydrazine
CID 105202106
N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine
CID 115516397

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).