[(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine

C13H9F5N2 — CID 105208117

IUPAC[(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H9F5N2/c14-8-2-1-6(3-9(8)15)13(20-19)7-4-10(16)12(18)11(17)5-7/h1-5,13,20H,19H2
InChIKeyOLEASWTXQCSNMW-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.93
Rot. Bonds3

About [(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine

[(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine (PubChem CID 105208117) has the molecular formula C13H9F5N2 and a molecular weight of 288.22 g/mol. Its IUPAC name is [(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
PubChem CID105208117
Molecular FormulaC13H9F5N2
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name[(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H9F5N2/c14-8-2-1-6(3-9(8)15)13(20-19)7-4-10(16)12(18)11(17)5-7/h1-5,13,20H,19H2
InChIKeyOLEASWTXQCSNMW-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105193316
[(S)-(3,4-difluorophenyl)-phenylmethyl]hydrazine
CID 124596469
[(5-bromothiophen-3-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105305003
[(3,4-difluorophenyl)-pyridin-3-ylmethyl]hydrazine
CID 105196161
[(6-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208143
[(3,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756542
[(3,4-difluorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105197212
[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105201447
[(3,4-difluorophenyl)-(5-fluoro-2-pyridinyl)methyl]hydrazine
CID 105248376
[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105305020
[(2-bromo-4-fluorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105304939
[(3,4-difluorophenyl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105269045

Frequently Asked Questions

What is the IUPAC name of [(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine (CID 105208117) is [(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine is NNC(c1ccc(F)c(F)c1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The InChIKey is OLEASWTXQCSNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2/c14-8-2-1-6(3-9(8)15)13(20-19)7-4-10(16)12(18)11(17)5-7/h1-5,13,20H,19H2.
What are the key properties of [(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
[(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine has a molecular weight of 288.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105208117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).