[1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine

C12H22F2N2O2S — CID 114226038

IUPAC[1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine
SMILESNNC(CC1CCC(F)(F)C1)CC1CCS(=O)(=O)C1
InChIInChI=1S/C12H22F2N2O2S/c13-12(14)3-1-9(7-12)5-11(16-15)6-10-2-4-19(17,18)8-10/h9-11,16H,1-8,15H2
InChIKeyZWXFEVBFZBNNIE-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.47
Rot. Bonds5

About [1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine

[1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine (PubChem CID 114226038) has the molecular formula C12H22F2N2O2S and a molecular weight of 296.38 g/mol. Its IUPAC name is [1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine
PubChem CID114226038
Molecular FormulaC12H22F2N2O2S
Molecular Weight296.38 g/mol
Exact Mass296.14
IUPAC Name[1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine
SMILESNNC(CC1CCC(F)(F)C1)CC1CCS(=O)(=O)C1
InChIInChI=1S/C12H22F2N2O2S/c13-12(14)3-1-9(7-12)5-11(16-15)6-10-2-4-19(17,18)8-10/h9-11,16H,1-8,15H2
InChIKeyZWXFEVBFZBNNIE-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 [1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine (CID 114226038) is [1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine is NNC(CC1CCC(F)(F)C1)CC1CCS(=O)(=O)C1.
What is the InChIKey of [1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine?
The InChIKey is ZWXFEVBFZBNNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2S/c13-12(14)3-1-9(7-12)5-11(16-15)6-10-2-4-19(17,18)8-10/h9-11,16H,1-8,15H2.
What are the key properties of [1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine?
[1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine has a molecular weight of 296.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-difluorocyclopentyl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 114226038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).