3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride

C15H19ClF3NO2 — CID 3050312

IUPAC3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(C(F)(F)F)cc2)CN2CCCCC2CO1
InChIInChI=1S/C15H18F3NO2.ClH/c16-15(17,18)12-6-4-11(5-7-12)14(20)10-19-8-2-1-3-13(19)9-21-14;/h4-7,13,20H,1-3,8-10H2;1H
InChIKeyICGGIWFUMIFOEC-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.16
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride

3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride (PubChem CID 3050312) has the molecular formula C15H19ClF3NO2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride
PubChem CID3050312
Molecular FormulaC15H19ClF3NO2
Molecular Weight337.77 g/mol
Exact Mass337.11
IUPAC Name3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(C(F)(F)F)cc2)CN2CCCCC2CO1
InChIInChI=1S/C15H18F3NO2.ClH/c16-15(17,18)12-6-4-11(5-7-12)14(20)10-19-8-2-1-3-13(19)9-21-14;/h4-7,13,20H,1-3,8-10H2;1H
InChIKeyICGGIWFUMIFOEC-UHFFFAOYSA-N
XLogP3.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride (CID 3050312) is 3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride is Cl.OC1(c2ccc(C(F)(F)F)cc2)CN2CCCCC2CO1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
The InChIKey is ICGGIWFUMIFOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2.ClH/c16-15(17,18)12-6-4-11(5-7-12)14(20)10-19-8-2-1-3-13(19)9-21-14;/h4-7,13,20H,1-3,8-10H2;1H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride has a molecular weight of 337.77 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride is sourced from PubChem (CID 3050312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).