[2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine

C10H13ClF2N2O2 — CID 105265581

IUPAC[2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine
SMILESCOc1cc(OC)cc(C(NN)C(F)(F)Cl)c1
InChIInChI=1S/C10H13ClF2N2O2/c1-16-7-3-6(4-8(5-7)17-2)9(15-14)10(11,12)13/h3-5,9,15H,14H2,1-2H3
InChIKeyURVOKZLNGCMBAM-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.04
Rot. Bonds5

About [2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine

[2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine (PubChem CID 105265581) has the molecular formula C10H13ClF2N2O2 and a molecular weight of 266.68 g/mol. Its IUPAC name is [2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine.

Molecular Properties

Compound Name[2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine
PubChem CID105265581
Molecular FormulaC10H13ClF2N2O2
Molecular Weight266.68 g/mol
Exact Mass266.06
IUPAC Name[2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine
SMILESCOc1cc(OC)cc(C(NN)C(F)(F)Cl)c1
InChIInChI=1S/C10H13ClF2N2O2/c1-16-7-3-6(4-8(5-7)17-2)9(15-14)10(11,12)13/h3-5,9,15H,14H2,1-2H3
InChIKeyURVOKZLNGCMBAM-UHFFFAOYSA-N
XLogP2.04
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2,2-difluoro-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105265477
[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105265555
[1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265210
[2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine
CID 105265553
1-(3,5-dimethoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312157
[2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 105265461
[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine
CID 105265494
(3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171239433
[1-(3,5-dimethoxyphenyl)-3-methoxypropyl]hydrazine
CID 105206483
methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate
CID 94376627
[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105204625
[(3,5-dimethoxyphenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258685

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine?
The IUPAC name of [2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine (CID 105265581) is [2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine.
What is the SMILES notation for [2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine?
The canonical SMILES for [2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine is COc1cc(OC)cc(C(NN)C(F)(F)Cl)c1.
What is the InChIKey of [2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine?
The InChIKey is URVOKZLNGCMBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2O2/c1-16-7-3-6(4-8(5-7)17-2)9(15-14)10(11,12)13/h3-5,9,15H,14H2,1-2H3.
What are the key properties of [2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine?
[2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine has a molecular weight of 266.68 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine is sourced from PubChem (CID 105265581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).