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

C9H19F3N2O2S — CID 105329070

IUPAC(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
SMILESCC(C)(C(CCCC(F)(F)F)NN)S(C)(=O)=O
InChIInChI=1S/C9H19F3N2O2S/c1-8(2,17(3,15)16)7(14-13)5-4-6-9(10,11)12/h7,14H,4-6,13H2,1-3H3
InChIKeyRRDXOURCKPEYHR-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.37
Rot. Bonds6

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

(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine (PubChem CID 105329070) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is (7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine.

Molecular Properties

Compound Name(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
PubChem CID105329070
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC Name(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
SMILESCC(C)(C(CCCC(F)(F)F)NN)S(C)(=O)=O
InChIInChI=1S/C9H19F3N2O2S/c1-8(2,17(3,15)16)7(14-13)5-4-6-9(10,11)12/h7,14H,4-6,13H2,1-3H3
InChIKeyRRDXOURCKPEYHR-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.37
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

(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
CID 105331426
1,1,1,6,6,6-hexafluorohexan-2-ylhydrazine
CID 105215662
(7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine
CID 105328967
(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105321743
N,2,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 105028788
(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine
CID 105215617
(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine
CID 105248920
8,8,8-trifluorooctan-4-ylhydrazine
CID 105202106
(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105282659
(8,8,8-trifluoro-2-methyloctan-4-yl)hydrazine
CID 105198922
[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105328847
7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine
CID 115517311

Frequently Asked Questions

What is the IUPAC name of (7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine?
The IUPAC name of (7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine (CID 105329070) is (7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine.
What is the SMILES notation for (7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine?
The canonical SMILES for (7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine is CC(C)(C(CCCC(F)(F)F)NN)S(C)(=O)=O.
What is the InChIKey of (7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine?
The InChIKey is RRDXOURCKPEYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-8(2,17(3,15)16)7(14-13)5-4-6-9(10,11)12/h7,14H,4-6,13H2,1-3H3.
What are the key properties of (7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine?
(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine has a molecular weight of 276.32 g/mol, XLogP of 1.37, 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-methyl-2-methylsulfonylheptan-3-yl)hydrazine is sourced from PubChem (CID 105329070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).