[1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine

C11H15ClF2N2 — CID 105265366

IUPAC[1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine
SMILESCc1ccc(C)c(CC(NN)C(F)(F)Cl)c1
InChIInChI=1S/C11H15ClF2N2/c1-7-3-4-8(2)9(5-7)6-10(16-15)11(12,13)14/h3-5,10,16H,6,15H2,1-2H3
InChIKeyAWBFMFZGWABGIF-UHFFFAOYSA-N
MW248.70 g/mol
LogP2.51
Rot. Bonds4

About [1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine

[1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine (PubChem CID 105265366) has the molecular formula C11H15ClF2N2 and a molecular weight of 248.70 g/mol. Its IUPAC name is [1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine
PubChem CID105265366
Molecular FormulaC11H15ClF2N2
Molecular Weight248.70 g/mol
Exact Mass248.09
IUPAC Name[1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine
SMILESCc1ccc(C)c(CC(NN)C(F)(F)Cl)c1
InChIInChI=1S/C11H15ClF2N2/c1-7-3-4-8(2)9(5-7)6-10(16-15)11(12,13)14/h3-5,10,16H,6,15H2,1-2H3
InChIKeyAWBFMFZGWABGIF-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.70
LogP ≤ 52.51
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

3-(2,5-dimethylphenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115802743
[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205901
1-(2,5-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240811
[1-chloro-3-(3,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265411
[2-(2,5-dimethylphenyl)-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105287730
[1-(2-chloro-4-methylphenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 106859721
[1-chloro-1,1-difluoro-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105265444
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206860
[1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287728
[1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine
CID 105331170
[1-cyclobutyl-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105224346
3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899283

Frequently Asked Questions

What is the IUPAC name of [1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine?
The IUPAC name of [1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine (CID 105265366) is [1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine.
What is the SMILES notation for [1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine?
The canonical SMILES for [1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine is Cc1ccc(C)c(CC(NN)C(F)(F)Cl)c1.
What is the InChIKey of [1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine?
The InChIKey is AWBFMFZGWABGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N2/c1-7-3-4-8(2)9(5-7)6-10(16-15)11(12,13)14/h3-5,10,16H,6,15H2,1-2H3.
What are the key properties of [1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine?
[1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine has a molecular weight of 248.70 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine is sourced from PubChem (CID 105265366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).