[(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine

C16H16F2N2O — CID 105301905

IUPAC[(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine
SMILESNNC(c1cc(F)cc(F)c1)C1OCCc2ccccc21
InChIInChI=1S/C16H16F2N2O/c17-12-7-11(8-13(18)9-12)15(20-19)16-14-4-2-1-3-10(14)5-6-21-16/h1-4,7-9,15-16,20H,5-6,19H2
InChIKeyIAGPIGNZSJXWOM-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.78
Rot. Bonds3

About [(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine

[(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine (PubChem CID 105301905) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is [(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine
PubChem CID105301905
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name[(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine
SMILESNNC(c1cc(F)cc(F)c1)C1OCCc2ccccc21
InChIInChI=1S/C16H16F2N2O/c17-12-7-11(8-13(18)9-12)15(20-19)16-14-4-2-1-3-10(14)5-6-21-16/h1-4,7-9,15-16,20H,5-6,19H2
InChIKeyIAGPIGNZSJXWOM-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305603
[3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105292632
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
CID 105083589
1-(4-chloro-2-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105173580
[1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105284785
[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 114984506
[3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308335
1-(3,4-dihydro-1H-isochromen-1-yl)pentylhydrazine
CID 105293861
[1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine
CID 105321323
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)but-3-enylhydrazine
CID 105289693

Frequently Asked Questions

What is the IUPAC name of [(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine?
The IUPAC name of [(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine (CID 105301905) is [(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine.
What is the SMILES notation for [(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine?
The canonical SMILES for [(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine is NNC(c1cc(F)cc(F)c1)C1OCCc2ccccc21.
What is the InChIKey of [(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine?
The InChIKey is IAGPIGNZSJXWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-12-7-11(8-13(18)9-12)15(20-19)16-14-4-2-1-3-10(14)5-6-21-16/h1-4,7-9,15-16,20H,5-6,19H2.
What are the key properties of [(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine?
[(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine has a molecular weight of 290.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine is sourced from PubChem (CID 105301905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).