(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine

C8H17F3N2O2S — CID 105248920

IUPAC(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine
SMILESCS(=O)(=O)CCCC(CCC(F)(F)F)NN
InChIInChI=1S/C8H17F3N2O2S/c1-16(14,15)6-2-3-7(13-12)4-5-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyMLAMPLIDQGJBFJ-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.99
Rot. Bonds7

About (1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine

(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine (PubChem CID 105248920) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is (1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine.

Molecular Properties

Compound Name(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine
PubChem CID105248920
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC Name(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine
SMILESCS(=O)(=O)CCCC(CCC(F)(F)F)NN
InChIInChI=1S/C8H17F3N2O2S/c1-16(14,15)6-2-3-7(13-12)4-5-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyMLAMPLIDQGJBFJ-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.99
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

(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine
CID 105215617
N,N-diethyl-3-hydrazinyl-6-methylsulfonylhexan-1-amine
CID 105243995
1,1,1-trifluoro-4-methylsulfonylbutane
CID 89466029
N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine
CID 63192586
8,8,8-trifluorooctan-4-ylhydrazine
CID 105202106
(1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine
CID 105265023
(1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-yl)hydrazine
CID 105227073
(1-methoxy-2-methyl-7-methylsulfonylheptan-4-yl)hydrazine
CID 105290999
(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine
CID 105290949
1,1,1,6,6,6-hexafluorohexan-3-ylhydrazine
CID 105205847
(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine
CID 105213738
(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine
CID 105275021

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine?
The IUPAC name of (1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine (CID 105248920) is (1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine.
What is the SMILES notation for (1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine?
The canonical SMILES for (1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine is CS(=O)(=O)CCCC(CCC(F)(F)F)NN.
What is the InChIKey of (1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine?
The InChIKey is MLAMPLIDQGJBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-16(14,15)6-2-3-7(13-12)4-5-8(9,10)11/h7,13H,2-6,12H2,1H3.
What are the key properties of (1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine?
(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine has a molecular weight of 262.30 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine is sourced from PubChem (CID 105248920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).