[2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine

C10H13ClF2N2 — CID 105265553

IUPAC[2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine
SMILESCc1ccc(C(NN)C(F)(F)Cl)cc1C
InChIInChI=1S/C10H13ClF2N2/c1-6-3-4-8(5-7(6)2)9(15-14)10(11,12)13/h3-5,9,15H,14H2,1-2H3
InChIKeyMSDSCWABQGTGSL-UHFFFAOYSA-N
MW234.68 g/mol
LogP2.64
Rot. Bonds3

About [2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine

[2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine (PubChem CID 105265553) has the molecular formula C10H13ClF2N2 and a molecular weight of 234.68 g/mol. Its IUPAC name is [2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine.

Molecular Properties

Compound Name[2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine
PubChem CID105265553
Molecular FormulaC10H13ClF2N2
Molecular Weight234.68 g/mol
Exact Mass234.07
IUPAC Name[2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine
SMILESCc1ccc(C(NN)C(F)(F)Cl)cc1C
InChIInChI=1S/C10H13ClF2N2/c1-6-3-4-8(5-7(6)2)9(15-14)10(11,12)13/h3-5,9,15H,14H2,1-2H3
InChIKeyMSDSCWABQGTGSL-UHFFFAOYSA-N
XLogP2.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 105265461
[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105265555
[1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropyl]hydrazine
CID 105223652
[2-chloro-2,2-difluoro-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105265477
[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine
CID 105265494
bis(3,4-dimethylphenyl)methylhydrazine
CID 105300164
[2-chloro-1-(3-ethylphenyl)-2,2-difluoroethyl]hydrazine
CID 105265335
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105300140
[2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265581
[2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105265504
[1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217414
3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine
CID 105265616

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine?
The IUPAC name of [2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine (CID 105265553) is [2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine.
What is the SMILES notation for [2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine?
The canonical SMILES for [2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine is Cc1ccc(C(NN)C(F)(F)Cl)cc1C.
What is the InChIKey of [2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine?
The InChIKey is MSDSCWABQGTGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2/c1-6-3-4-8(5-7(6)2)9(15-14)10(11,12)13/h3-5,9,15H,14H2,1-2H3.
What are the key properties of [2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine?
[2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine has a molecular weight of 234.68 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine is sourced from PubChem (CID 105265553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).