[2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine

C13H24F2N2S2 — CID 114226004

IUPAC[2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCC(C(CC2CCC(F)(F)C2)NN)SC1C
InChIInChI=1S/C13H24F2N2S2/c1-8-9(2)19-12(7-18-8)11(17-16)5-10-3-4-13(14,15)6-10/h8-12,17H,3-7,16H2,1-2H3
InChIKeyQYZHECUAYXJTQX-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.27
Rot. Bonds4

About [2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine

[2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 114226004) has the molecular formula C13H24F2N2S2 and a molecular weight of 310.48 g/mol. Its IUPAC name is [2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID114226004
Molecular FormulaC13H24F2N2S2
Molecular Weight310.48 g/mol
Exact Mass310.13
IUPAC Name[2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCC(C(CC2CCC(F)(F)C2)NN)SC1C
InChIInChI=1S/C13H24F2N2S2/c1-8-9(2)19-12(7-18-8)11(17-16)5-10-3-4-13(14,15)6-10/h8-12,17H,3-7,16H2,1-2H3
InChIKeyQYZHECUAYXJTQX-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.27
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

2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 103345724
[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxyethyl]hydrazine
CID 103347217
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 103345778
[1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine
CID 103347091
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 107312815
[2-(3,3-difluorocyclopentyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 114226042
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
[1-(5,6-dimethyl-1,4-dithian-2-yl)-2,2-dimethylpropyl]hydrazine
CID 103347111
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylbutan-1-amine
CID 103346032

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine (CID 114226004) is [2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine is CC1SCC(C(CC2CCC(F)(F)C2)NN)SC1C.
What is the InChIKey of [2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is QYZHECUAYXJTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2S2/c1-8-9(2)19-12(7-18-8)11(17-16)5-10-3-4-13(14,15)6-10/h8-12,17H,3-7,16H2,1-2H3.
What are the key properties of [2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
[2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 310.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 114226004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).