(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine

C6H13F3N2O2S — CID 105215617

IUPAC(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine
SMILESCS(=O)(=O)CCCC(NN)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-14(12,13)4-2-3-5(11-10)6(7,8)9/h5,11H,2-4,10H2,1H3
InChIKeyLILLMRXGZCNXHS-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.21
Rot. Bonds5

About (1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine

(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine (PubChem CID 105215617) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is (1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine.

Molecular Properties

Compound Name(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine
PubChem CID105215617
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC Name(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine
SMILESCS(=O)(=O)CCCC(NN)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-14(12,13)4-2-3-5(11-10)6(7,8)9/h5,11H,2-4,10H2,1H3
InChIKeyLILLMRXGZCNXHS-UHFFFAOYSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.21
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-7-methylsulfonylheptan-4-yl)hydrazine
CID 105248920
(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine
CID 105275021
(1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine
CID 105265023
1,1,1,6,6,6-hexafluorohexan-2-ylhydrazine
CID 105215662
[4-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105290966
[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105290912
5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 116757678
(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
CID 105329070
[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290996
N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine
CID 63192586
N,N-diethyl-3-hydrazinyl-6-methylsulfonylhexan-1-amine
CID 105243995
(2-ethoxy-6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine
CID 105273996

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine?
The IUPAC name of (1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine (CID 105215617) is (1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine.
What is the SMILES notation for (1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine?
The canonical SMILES for (1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine is CS(=O)(=O)CCCC(NN)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine?
The InChIKey is LILLMRXGZCNXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-14(12,13)4-2-3-5(11-10)6(7,8)9/h5,11H,2-4,10H2,1H3.
What are the key properties of (1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine?
(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine has a molecular weight of 234.24 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine is sourced from PubChem (CID 105215617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).