[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine

C14H18ClFN2O — CID 105221490

IUPAC[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Cl)C1CC2CCC1O2
InChIInChI=1S/C14H18ClFN2O/c15-12-6-9(16)2-1-8(12)5-13(18-17)11-7-10-3-4-14(11)19-10/h1-2,6,10-11,13-14,18H,3-5,7,17H2
InChIKeyOMIDBUGQDNGRLK-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.42
Rot. Bonds4

About [2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine

[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine (PubChem CID 105221490) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is [2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
PubChem CID105221490
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Cl)C1CC2CCC1O2
InChIInChI=1S/C14H18ClFN2O/c15-12-6-9(16)2-1-8(12)5-13(18-17)11-7-10-3-4-14(11)19-10/h1-2,6,10-11,13-14,18H,3-5,7,17H2
InChIKeyOMIDBUGQDNGRLK-UHFFFAOYSA-N
XLogP2.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.42
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-methylphenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221615
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105224610
N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine
CID 103048687
[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105221719
[2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221501
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107884732
2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107308630
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
[2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262591
[1-(2-chloro-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105216074
2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 105406187
N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114728732

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine (CID 105221490) is [2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine is NNC(Cc1ccc(F)cc1Cl)C1CC2CCC1O2.
What is the InChIKey of [2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine?
The InChIKey is OMIDBUGQDNGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-12-6-9(16)2-1-8(12)5-13(18-17)11-7-10-3-4-14(11)19-10/h1-2,6,10-11,13-14,18H,3-5,7,17H2.
What are the key properties of [2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine?
[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine has a molecular weight of 284.76 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105221490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).