[(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine

C13H8ClF5N2 — CID 105289201

IUPAC[(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
SMILESNNC(c1cccc(Cl)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H8ClF5N2/c14-6-3-1-2-5(4-6)13(21-20)7-8(15)10(17)12(19)11(18)9(7)16/h1-4,13,21H,20H2
InChIKeyFNLIXOOEZFIZBM-UHFFFAOYSA-N
MW322.66 g/mol
LogP3.59
Rot. Bonds3

About [(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine

[(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine (PubChem CID 105289201) has the molecular formula C13H8ClF5N2 and a molecular weight of 322.66 g/mol. Its IUPAC name is [(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
PubChem CID105289201
Molecular FormulaC13H8ClF5N2
Molecular Weight322.66 g/mol
Exact Mass322.03
IUPAC Name[(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
SMILESNNC(c1cccc(Cl)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H8ClF5N2/c14-6-3-1-2-5(4-6)13(21-20)7-8(15)10(17)12(19)11(18)9(7)16/h1-4,13,21H,20H2
InChIKeyFNLIXOOEZFIZBM-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105280223
[(3-bromo-4-fluorophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105264217
[(4-bromo-3-fluorophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105289235
[(2-bromophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105208765
[(3-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105289210
[(3-chlorophenyl)-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257671
[(3-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107505046
[(3-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251601
[(4-chloro-2-fluorophenyl)-(3-methylphenyl)methyl]hydrazine
CID 105200777
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 107948244
[[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine
CID 105212866

Frequently Asked Questions

What is the IUPAC name of [(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
The IUPAC name of [(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine (CID 105289201) is [(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
The canonical SMILES for [(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine is NNC(c1cccc(Cl)c1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
The InChIKey is FNLIXOOEZFIZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF5N2/c14-6-3-1-2-5(4-6)13(21-20)7-8(15)10(17)12(19)11(18)9(7)16/h1-4,13,21H,20H2.
What are the key properties of [(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine?
[(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine has a molecular weight of 322.66 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105289201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).