[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine

C16H16ClFN2O — CID 105264484

IUPAC[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1F)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16ClFN2O/c17-13-3-1-2-12(16(13)18)9-14(20-19)10-4-5-15-11(8-10)6-7-21-15/h1-5,8,14,20H,6-7,9,19H2
InChIKeyVFNGIYIKYCDLLR-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.16
Rot. Bonds4

About [2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine

[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine (PubChem CID 105264484) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
PubChem CID105264484
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1F)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16ClFN2O/c17-13-3-1-2-12(16(13)18)9-14(20-19)10-4-5-15-11(8-10)6-7-21-15/h1-5,8,14,20H,6-7,9,19H2
InChIKeyVFNGIYIKYCDLLR-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.16
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

[2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 103044304
[2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 105335211
[2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine
CID 102868631
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473
[1-(3-bromo-4-methylphenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868845
[2-(3-chloro-2-fluorophenyl)-1-(3-ethylphenyl)ethyl]hydrazine
CID 105264293
[(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105211193
[2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethyl]hydrazine
CID 105264454
[2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105297972
[2-(2,3-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine
CID 105297931
[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328955
[1-(2-chloro-5-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105397954

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine (CID 105264484) is [2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine is NNC(Cc1cccc(Cl)c1F)c1ccc2c(c1)CCO2.
What is the InChIKey of [2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
The InChIKey is VFNGIYIKYCDLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-13-3-1-2-12(16(13)18)9-14(20-19)10-4-5-15-11(8-10)6-7-21-15/h1-5,8,14,20H,6-7,9,19H2.
What are the key properties of [2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine has a molecular weight of 306.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105264484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).