3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride

C14H19ClFNO — CID 90674173

IUPAC3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCl.Fc1ccc(C2CN3CCCCC3CO2)cc1
InChIInChI=1S/C14H18FNO.ClH/c15-12-6-4-11(5-7-12)14-9-16-8-2-1-3-13(16)10-17-14;/h4-7,13-14H,1-3,8-10H2;1H
InChIKeyVMADRJHMPCWLPX-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.17
Rot. Bonds1

About 3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride

3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride (PubChem CID 90674173) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
PubChem CID90674173
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCl.Fc1ccc(C2CN3CCCCC3CO2)cc1
InChIInChI=1S/C14H18FNO.ClH/c15-12-6-4-11(5-7-12)14-9-16-8-2-1-3-13(16)10-17-14;/h4-7,13-14H,1-3,8-10H2;1H
InChIKeyVMADRJHMPCWLPX-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride (CID 90674173) is 3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride is Cl.Fc1ccc(C2CN3CCCCC3CO2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The InChIKey is VMADRJHMPCWLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO.ClH/c15-12-6-4-11(5-7-12)14-9-16-8-2-1-3-13(16)10-17-14;/h4-7,13-14H,1-3,8-10H2;1H.
What are the key properties of 3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride has a molecular weight of 271.76 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride is sourced from PubChem (CID 90674173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).