[1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine

C14H21FN2O2S — CID 105340830

IUPAC[1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
SMILESCc1cc(F)ccc1CC(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C14H21FN2O2S/c1-10-6-13(15)3-2-12(10)8-14(17-16)7-11-4-5-20(18,19)9-11/h2-3,6,11,14,17H,4-5,7-9,16H2,1H3
InChIKeyACQJXCUSNPBVSV-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.33
Rot. Bonds5

About [1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine

[1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine (PubChem CID 105340830) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
PubChem CID105340830
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
SMILESCc1cc(F)ccc1CC(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C14H21FN2O2S/c1-10-6-13(15)3-2-12(10)8-14(17-16)7-11-4-5-20(18,19)9-11/h2-3,6,11,14,17H,4-5,7-9,16H2,1H3
InChIKeyACQJXCUSNPBVSV-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.33
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-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105285193
[1-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105258993
[2-(1,1-dioxothiolan-3-yl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105302170
1-(2,4-difluorophenyl)-3-(1,1-dioxothiolan-3-yl)-N-ethylpropan-2-amine
CID 105117539
1-(2,5-difluorophenyl)-3-(1,1-dioxothiolan-3-yl)-N-methylpropan-2-amine
CID 105105332
[1-(1,1-dioxothiolan-3-yl)-3-phenylpropan-2-yl]hydrazine
CID 105283106
[4-cyclohexyl-1-(4-fluoro-2-methylphenyl)butan-2-yl]hydrazine
CID 105340839
N-[(4-fluoro-2-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 62125242
[1-cyclobutyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223148
N-[2-(1,1-dioxothiolan-3-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105142731
[1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105295494
2-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propanoic acid
CID 114346556

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine (CID 105340830) is [1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine is Cc1cc(F)ccc1CC(CC1CCS(=O)(=O)C1)NN.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine?
The InChIKey is ACQJXCUSNPBVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10-6-13(15)3-2-12(10)8-14(17-16)7-11-4-5-20(18,19)9-11/h2-3,6,11,14,17H,4-5,7-9,16H2,1H3.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine has a molecular weight of 300.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105340830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).