[1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine

C11H16F2N2O2S — CID 105290950

IUPAC[1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)c1cccc(F)c1F
InChIInChI=1S/C11H16F2N2O2S/c1-18(16,17)7-3-6-10(15-14)8-4-2-5-9(12)11(8)13/h2,4-5,10,15H,3,6-7,14H2,1H3
InChIKeyKECTXKMXJLVNSF-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.29
Rot. Bonds6

About [1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine

[1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 105290950) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is [1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine
PubChem CID105290950
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name[1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)c1cccc(F)c1F
InChIInChI=1S/C11H16F2N2O2S/c1-18(16,17)7-3-6-10(15-14)8-4-2-5-9(12)11(8)13/h2,4-5,10,15H,3,6-7,14H2,1H3
InChIKeyKECTXKMXJLVNSF-UHFFFAOYSA-N
XLogP1.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.29
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-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290996
1-(2,3-difluorophenyl)pentylhydrazine
CID 105245668
1-(2,3-difluorophenyl)hexylhydrazine
CID 105294688
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642
[4-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105290966
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
N-[1-(2,3-difluorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 103915804
[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842
(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine
CID 114984621
[1-(4-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105279776
2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid
CID 79438900
1-(1-chloro-5-methylsulfonylpentan-2-yl)-2-fluorobenzene
CID 79454995

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine (CID 105290950) is [1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine is CS(=O)(=O)CCCC(NN)c1cccc(F)c1F.
What is the InChIKey of [1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is KECTXKMXJLVNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-18(16,17)7-3-6-10(15-14)8-4-2-5-9(12)11(8)13/h2,4-5,10,15H,3,6-7,14H2,1H3.
What are the key properties of [1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine?
[1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 278.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105290950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).