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

C6H14F2N2O2S — CID 105265023

IUPAC(1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine
SMILESCS(=O)(=O)CCCC(NN)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-13(11,12)4-2-3-5(10-9)6(7)8/h5-6,10H,2-4,9H2,1H3
InChIKeyKPKQMWLVXYCCKN-UHFFFAOYSA-N
MW216.25 g/mol
LogP-0.09
Rot. Bonds6

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

(1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine (PubChem CID 105265023) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is (1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine.

Molecular Properties

Compound Name(1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine
PubChem CID105265023
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC Name(1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine
SMILESCS(=O)(=O)CCCC(NN)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-13(11,12)4-2-3-5(10-9)6(7)8/h5-6,10H,2-4,9H2,1H3
InChIKeyKPKQMWLVXYCCKN-UHFFFAOYSA-N
XLogP-0.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 5-0.09
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
(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine
CID 105275021
(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine
CID 105248920
5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine
CID 115820781
(4-methyl-1-methylsulfonylheptan-3-yl)hydrazine
CID 114985152
(1-ethylsulfonyl-5,6-dimethylheptan-4-yl)hydrazine
CID 105310922
1,1-difluorohept-6-en-2-ylhydrazine
CID 105264991
6-methylsulfonyl-3-propan-2-ylhexan-2-amine
CID 63191205
[1-(3-bicyclo[3.1.0]hexanyl)-4-methylsulfonylbutyl]hydrazine
CID 105290867
N,N-diethyl-3-hydrazinyl-6-methylsulfonylhexan-1-amine
CID 105243995
1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine
CID 102869245
[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290938

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine?
The IUPAC name of (1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine (CID 105265023) is (1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine.
What is the SMILES notation for (1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine?
The canonical SMILES for (1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine is CS(=O)(=O)CCCC(NN)C(F)F.
What is the InChIKey of (1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine?
The InChIKey is KPKQMWLVXYCCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-13(11,12)4-2-3-5(10-9)6(7)8/h5-6,10H,2-4,9H2,1H3.
What are the key properties of (1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine?
(1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine has a molecular weight of 216.25 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine is sourced from PubChem (CID 105265023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).