[2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine

C12H22F2N2O2S — CID 114225985

IUPAC[2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESNNC(CC1CCCC(F)(F)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22F2N2O2S/c13-12(14)4-1-2-9(7-12)6-11(16-15)10-3-5-19(17,18)8-10/h9-11,16H,1-8,15H2
InChIKeySBFFUGSPYWNASP-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.47
Rot. Bonds4

About [2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine

[2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (PubChem CID 114225985) has the molecular formula C12H22F2N2O2S and a molecular weight of 296.38 g/mol. Its IUPAC name is [2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
PubChem CID114225985
Molecular FormulaC12H22F2N2O2S
Molecular Weight296.38 g/mol
Exact Mass296.14
IUPAC Name[2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESNNC(CC1CCCC(F)(F)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22F2N2O2S/c13-12(14)4-1-2-9(7-12)6-11(16-15)10-3-5-19(17,18)8-10/h9-11,16H,1-8,15H2
InChIKeySBFFUGSPYWNASP-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (CID 114225985) is [2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is NNC(CC1CCCC(F)(F)C1)C1CCS(=O)(=O)C1.
What is the InChIKey of [2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The InChIKey is SBFFUGSPYWNASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2S/c13-12(14)4-1-2-9(7-12)6-11(16-15)10-3-5-19(17,18)8-10/h9-11,16H,1-8,15H2.
What are the key properties of [2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
[2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine has a molecular weight of 296.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluorocyclohexyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 114225985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).