7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine

C14H9ClF6N2O — CID 87886281

IUPAC7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine
SMILESFC(F)(F)CN1CCOc2ccc3c(Cl)cc(C(F)(F)F)nc3c21
InChIInChI=1S/C14H9ClF6N2O/c15-8-5-10(14(19,20)21)22-11-7(8)1-2-9-12(11)23(3-4-24-9)6-13(16,17)18/h1-2,5H,3-4,6H2
InChIKeyXIQDTWZJIKWQQG-UHFFFAOYSA-N
MW370.68 g/mol
LogP4.67
Rot. Bonds1

About 7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine

7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine (PubChem CID 87886281) has the molecular formula C14H9ClF6N2O and a molecular weight of 370.68 g/mol. Its IUPAC name is 7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine.

Molecular Properties

Compound Name7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine
PubChem CID87886281
Molecular FormulaC14H9ClF6N2O
Molecular Weight370.68 g/mol
Exact Mass370.03
IUPAC Name7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine
SMILESFC(F)(F)CN1CCOc2ccc3c(Cl)cc(C(F)(F)F)nc3c21
InChIInChI=1S/C14H9ClF6N2O/c15-8-5-10(14(19,20)21)22-11-7(8)1-2-9-12(11)23(3-4-24-9)6-13(16,17)18/h1-2,5H,3-4,6H2
InChIKeyXIQDTWZJIKWQQG-UHFFFAOYSA-N
XLogP4.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine?
The IUPAC name of 7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine (CID 87886281) is 7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine.
What is the SMILES notation for 7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine?
The canonical SMILES for 7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine is FC(F)(F)CN1CCOc2ccc3c(Cl)cc(C(F)(F)F)nc3c21.
What is the InChIKey of 7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine?
The InChIKey is XIQDTWZJIKWQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF6N2O/c15-8-5-10(14(19,20)21)22-11-7(8)1-2-9-12(11)23(3-4-24-9)6-13(16,17)18/h1-2,5H,3-4,6H2.
What are the key properties of 7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine?
7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine has a molecular weight of 370.68 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[2,3-f][1,4]benzoxazine is sourced from PubChem (CID 87886281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).