2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine

C9H12ClFN2 — CID 112652223

IUPAC2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine
SMILESCN(C)NCc1cccc(F)c1Cl
InChIInChI=1S/C9H12ClFN2/c1-13(2)12-6-7-4-3-5-8(11)9(7)10/h3-5,12H,6H2,1-2H3
InChIKeyJTHRGSAQHORXNS-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.05
Rot. Bonds3

About 2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine

2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine (PubChem CID 112652223) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine
PubChem CID112652223
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine
SMILESCN(C)NCc1cccc(F)c1Cl
InChIInChI=1S/C9H12ClFN2/c1-13(2)12-6-7-4-3-5-8(11)9(7)10/h3-5,12H,6H2,1-2H3
InChIKeyJTHRGSAQHORXNS-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 112652013
1-(2-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112652213
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline
CID 112651786
1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine
CID 112654379
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112651923
1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol
CID 112652111
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 112652212
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine (CID 112652223) is 2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine is CN(C)NCc1cccc(F)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine?
The InChIKey is JTHRGSAQHORXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2/c1-13(2)12-6-7-4-3-5-8(11)9(7)10/h3-5,12H,6H2,1-2H3.
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine?
2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine has a molecular weight of 202.66 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 112652223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).