[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine

C9H10ClF3N2O — CID 105265555

IUPAC[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(C(NN)C(F)(F)Cl)cc1F
InChIInChI=1S/C9H10ClF3N2O/c1-16-7-3-2-5(4-6(7)11)8(15-14)9(10,12)13/h2-4,8,15H,14H2,1H3
InChIKeyMIAORXXOVYOGDZ-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.17
Rot. Bonds4

About [2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine

[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine (PubChem CID 105265555) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is [2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
PubChem CID105265555
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(C(NN)C(F)(F)Cl)cc1F
InChIInChI=1S/C9H10ClF3N2O/c1-16-7-3-2-5(4-6(7)11)8(15-14)9(10,12)13/h2-4,8,15H,14H2,1H3
InChIKeyMIAORXXOVYOGDZ-UHFFFAOYSA-N
XLogP2.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
[2-chloro-2,2-difluoro-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105265477
[2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine
CID 105265553
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
[2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265581
4-(1-chloro-2,2,2-trifluoroethyl)-2-fluoro-1-methoxybenzene
CID 61085047
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663

Frequently Asked Questions

What is the IUPAC name of [2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine (CID 105265555) is [2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine is COc1ccc(C(NN)C(F)(F)Cl)cc1F.
What is the InChIKey of [2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
The InChIKey is MIAORXXOVYOGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-16-7-3-2-5(4-6(7)11)8(15-14)9(10,12)13/h2-4,8,15H,14H2,1H3.
What are the key properties of [2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine has a molecular weight of 254.64 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105265555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).