[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine

C15H21ClFN3O — CID 105245088

IUPAC[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1F)C1CN2CCCC2CO1
InChIInChI=1S/C15H21ClFN3O/c16-11-4-3-10(13(17)7-11)6-14(19-18)15-8-20-5-1-2-12(20)9-21-15/h3-4,7,12,14-15,19H,1-2,5-6,8-9,18H2
InChIKeyFEKTVSAQYAUBAH-UHFFFAOYSA-N
MW313.80 g/mol
LogP1.72
Rot. Bonds4

About [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine

[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine (PubChem CID 105245088) has the molecular formula C15H21ClFN3O and a molecular weight of 313.80 g/mol. Its IUPAC name is [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
PubChem CID105245088
Molecular FormulaC15H21ClFN3O
Molecular Weight313.80 g/mol
Exact Mass313.14
IUPAC Name[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1F)C1CN2CCCC2CO1
InChIInChI=1S/C15H21ClFN3O/c16-11-4-3-10(13(17)7-11)6-14(19-18)15-8-20-5-1-2-12(20)9-21-15/h3-4,7,12,14-15,19H,1-2,5-6,8-9,18H2
InChIKeyFEKTVSAQYAUBAH-UHFFFAOYSA-N
XLogP1.72
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine with MolForge

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Related Compounds

[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107895187
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105245013
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105245097
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butylhydrazine
CID 105245001
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)propylhydrazine
CID 105245091
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857751
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105245021
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105245028
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethyl]hydrazine
CID 105245107
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chlorophenyl)ethanamine
CID 79088673
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105245121
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-phenylbutyl]hydrazine
CID 105244974

Frequently Asked Questions

What is the IUPAC name of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine (CID 105245088) is [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine is NNC(Cc1ccc(Cl)cc1F)C1CN2CCCC2CO1.
What is the InChIKey of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine?
The InChIKey is FEKTVSAQYAUBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O/c16-11-4-3-10(13(17)7-11)6-14(19-18)15-8-20-5-1-2-12(20)9-21-15/h3-4,7,12,14-15,19H,1-2,5-6,8-9,18H2.
What are the key properties of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine?
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine has a molecular weight of 313.80 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105245088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).