[2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine

C16H16ClFN2O — CID 105216070

IUPAC[2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
SMILESNNC(Cc1c(F)cccc1Cl)c1cccc2c1OCC2
InChIInChI=1S/C16H16ClFN2O/c17-13-5-2-6-14(18)12(13)9-15(20-19)11-4-1-3-10-7-8-21-16(10)11/h1-6,15,20H,7-9,19H2
InChIKeyUBMNNLYVQVKYEJ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.16
Rot. Bonds4

About [2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine

[2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine (PubChem CID 105216070) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is [2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
PubChem CID105216070
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name[2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
SMILESNNC(Cc1c(F)cccc1Cl)c1cccc2c1OCC2
InChIInChI=1S/C16H16ClFN2O/c17-13-5-2-6-14(18)12(13)9-15(20-19)11-4-1-3-10-7-8-21-16(10)11/h1-6,15,20H,7-9,19H2
InChIKeyUBMNNLYVQVKYEJ-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-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
CID 105223225
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198455
[2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]hydrazine
CID 102654130
[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199154
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 106648844
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208501
[1-(3,4-dihydro-2H-chromen-8-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198432
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226295
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745177
[1-(2-chloro-6-fluorophenyl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342808
[2-cycloheptyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
CID 105341787
[2-(2-chloro-6-fluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 102842734

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine (CID 105216070) is [2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine is NNC(Cc1c(F)cccc1Cl)c1cccc2c1OCC2.
What is the InChIKey of [2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine?
The InChIKey is UBMNNLYVQVKYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-13-5-2-6-14(18)12(13)9-15(20-19)11-4-1-3-10-7-8-21-16(10)11/h1-6,15,20H,7-9,19H2.
What are the key properties of [2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine?
[2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-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-(2-chloro-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine is sourced from PubChem (CID 105216070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).