[(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine

C8H7F5N2 — CID 124596401

IUPAC[(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine
SMILESNN[C@@H](c1cc(F)cc(F)c1)C(F)(F)F
InChIInChI=1S/C8H7F5N2/c9-5-1-4(2-6(10)3-5)7(15-14)8(11,12)13/h1-3,7,15H,14H2/t7-/m0/s1
InChIKeyKEQLWXQXQKPZMO-ZETCQYMHSA-N
MW226.15 g/mol
LogP2.03
Rot. Bonds2

About [(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine

[(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine (PubChem CID 124596401) has the molecular formula C8H7F5N2 and a molecular weight of 226.15 g/mol. Its IUPAC name is [(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine.

Molecular Properties

Compound Name[(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine
PubChem CID124596401
Molecular FormulaC8H7F5N2
Molecular Weight226.15 g/mol
Exact Mass226.05
IUPAC Name[(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine
SMILESNN[C@@H](c1cc(F)cc(F)c1)C(F)(F)F
InChIInChI=1S/C8H7F5N2/c9-5-1-4(2-6(10)3-5)7(15-14)8(11,12)13/h1-3,7,15H,14H2/t7-/m0/s1
InChIKeyKEQLWXQXQKPZMO-ZETCQYMHSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275488
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105325387
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398
[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine
CID 105265494
[(3,5-difluorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192791
1-(3,5-difluorophenyl)propylhydrazine
CID 53402270
[1-(3,5-difluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217435
[(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105301886
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
[(3,5-dichlorophenyl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105301847
[(1S)-2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 124633921
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215563

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine?
The IUPAC name of [(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine (CID 124596401) is [(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine.
What is the SMILES notation for [(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine?
The canonical SMILES for [(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine is NN[C@@H](c1cc(F)cc(F)c1)C(F)(F)F.
What is the InChIKey of [(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine?
The InChIKey is KEQLWXQXQKPZMO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7F5N2/c9-5-1-4(2-6(10)3-5)7(15-14)8(11,12)13/h1-3,7,15H,14H2/t7-/m0/s1.
What are the key properties of [(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine?
[(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine has a molecular weight of 226.15 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine is sourced from PubChem (CID 124596401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).