[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine

C8H8ClF3N2 — CID 105265494

IUPAC[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine
SMILESNNC(c1cccc(F)c1)C(F)(F)Cl
InChIInChI=1S/C8H8ClF3N2/c9-8(11,12)7(14-13)5-2-1-3-6(10)4-5/h1-4,7,14H,13H2
InChIKeyKXWPQPKYQCOSPI-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.16
Rot. Bonds3

About [2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine

[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine (PubChem CID 105265494) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is [2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine
PubChem CID105265494
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine
SMILESNNC(c1cccc(F)c1)C(F)(F)Cl
InChIInChI=1S/C8H8ClF3N2/c9-8(11,12)7(14-13)5-2-1-3-6(10)4-5/h1-4,7,14H,13H2
InChIKeyKXWPQPKYQCOSPI-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.16
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-ethylphenyl)-2,2-difluoroethyl]hydrazine
CID 105265335
[2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 105265461
[2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethyl]hydrazine
CID 105265553
[1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine
CID 105265536
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398
[(3-fluorophenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250363
[(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine
CID 124596401
2-[[(1S)-1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]acetonitrile
CID 97334665
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
[2-chloro-1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265581
[2-chloro-2,2-difluoro-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105265477
[1-(3-fluorophenyl)-2,3-dimethylbutyl]hydrazine
CID 105285597

Frequently Asked Questions

What is the IUPAC name of [2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine (CID 105265494) is [2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine is NNC(c1cccc(F)c1)C(F)(F)Cl.
What is the InChIKey of [2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine?
The InChIKey is KXWPQPKYQCOSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c9-8(11,12)7(14-13)5-2-1-3-6(10)4-5/h1-4,7,14H,13H2.
What are the key properties of [2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine?
[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine has a molecular weight of 224.61 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105265494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).