[2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine

C9H17ClF2N2O2S — CID 105265525

IUPAC[2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)C(F)(F)Cl)C1
InChIInChI=1S/C9H17ClF2N2O2S/c1-17(15,16)7-4-2-3-6(5-7)8(14-13)9(10,11)12/h6-8,14H,2-5,13H2,1H3
InChIKeyQXACVXBDDRCCNN-UHFFFAOYSA-N
MW290.76 g/mol
LogP1.25
Rot. Bonds4

About [2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine

[2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine (PubChem CID 105265525) has the molecular formula C9H17ClF2N2O2S and a molecular weight of 290.76 g/mol. Its IUPAC name is [2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
PubChem CID105265525
Molecular FormulaC9H17ClF2N2O2S
Molecular Weight290.76 g/mol
Exact Mass290.07
IUPAC Name[2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)C(F)(F)Cl)C1
InChIInChI=1S/C9H17ClF2N2O2S/c1-17(15,16)7-4-2-3-6(5-7)8(14-13)9(10,11)12/h6-8,14H,2-5,13H2,1H3
InChIKeyQXACVXBDDRCCNN-UHFFFAOYSA-N
XLogP1.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine?
The IUPAC name of [2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine (CID 105265525) is [2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine.
What is the SMILES notation for [2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine?
The canonical SMILES for [2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine is CS(=O)(=O)C1CCCC(C(NN)C(F)(F)Cl)C1.
What is the InChIKey of [2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine?
The InChIKey is QXACVXBDDRCCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClF2N2O2S/c1-17(15,16)7-4-2-3-6(5-7)8(14-13)9(10,11)12/h6-8,14H,2-5,13H2,1H3.
What are the key properties of [2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine?
[2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine has a molecular weight of 290.76 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-2,2-difluoro-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine is sourced from PubChem (CID 105265525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).