8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine

C15H15F3N2O2 — CID 21094349

IUPAC8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine
SMILESCC(C)Oc1cc(C(F)(F)F)c2c3c(ccc2n1)NCCO3
InChIInChI=1S/C15H15F3N2O2/c1-8(2)22-12-7-9(15(16,17)18)13-10(20-12)3-4-11-14(13)21-6-5-19-11/h3-4,7-8,19H,5-6H2,1-2H3
InChIKeyFCYKIOFEHRVHSY-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.85
Rot. Bonds2

About 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine

8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine (PubChem CID 21094349) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine.

Molecular Properties

Compound Name8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine
PubChem CID21094349
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine
SMILESCC(C)Oc1cc(C(F)(F)F)c2c3c(ccc2n1)NCCO3
InChIInChI=1S/C15H15F3N2O2/c1-8(2)22-12-7-9(15(16,17)18)13-10(20-12)3-4-11-14(13)21-6-5-19-11/h3-4,7-8,19H,5-6H2,1-2H3
InChIKeyFCYKIOFEHRVHSY-UHFFFAOYSA-N
XLogP3.85
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine with MolForge

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Related Compounds

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US10941138, Example 31
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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
The IUPAC name of 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine (CID 21094349) is 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine.
What is the SMILES notation for 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
The canonical SMILES for 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine is CC(C)Oc1cc(C(F)(F)F)c2c3c(ccc2n1)NCCO3.
What is the InChIKey of 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
The InChIKey is FCYKIOFEHRVHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-8(2)22-12-7-9(15(16,17)18)13-10(20-12)3-4-11-14(13)21-6-5-19-11/h3-4,7-8,19H,5-6H2,1-2H3.
What are the key properties of 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine has a molecular weight of 312.29 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine is sourced from PubChem (CID 21094349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).