8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine

C27H20F4N2O2 — CID 162559488

IUPAC8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine
SMILESFc1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4
InChIInChI=1S/C27H20F4N2O2/c28-22-6-2-4-8-24(22)33-14-20-10-17-9-19-13-32(23-7-3-1-5-21(23)27(29,30)31)15-34-25(19)11-18(17)12-26(20)35-16-33/h1-12H,13-16H2
InChIKeyXUQSGHVRJBVUBW-UHFFFAOYSA-N
MW480.46 g/mol
LogP6.71
Rot. Bonds2

About 8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine

8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine (PubChem CID 162559488) has the molecular formula C27H20F4N2O2 and a molecular weight of 480.46 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine.

Molecular Properties

Compound Name8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine
PubChem CID162559488
Molecular FormulaC27H20F4N2O2
Molecular Weight480.46 g/mol
Exact Mass480.15
IUPAC Name8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine
SMILESFc1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4
InChIInChI=1S/C27H20F4N2O2/c28-22-6-2-4-8-24(22)33-14-20-10-17-9-19-13-32(23-7-3-1-5-21(23)27(29,30)31)15-34-25(19)11-18(17)12-26(20)35-16-33/h1-12H,13-16H2
InChIKeyXUQSGHVRJBVUBW-UHFFFAOYSA-N
XLogP6.71
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.46
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,6'-Methylenebis(3-phenyl-3,4-dihydro-2H-1,3-benzoxazine)
CID 20582009
2-(4-Methylphenyl)-2,3-dihydro-1H-naphtho(1,2-e)(1,3)oxazine
CID 232676
2-phenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine
CID 4109851
3-Phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine
CID 46886727
2H-1,3-Benzoxazine, 6,6'-(1-methylethylidene)bis[3,4-dihydro-3-phenyl-
CID 11037911
2-(4-fluorophenyl)-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine
CID 935359
1-(4-Fluorophenyl)-4-[(4-methoxy-1-naphthyl)methyl]piperazine
CID 1376468
2-(3-Methylphenyl)-1H,2H,3H-naphtho[1,2-E][1,3]oxazine
CID 4109852
2-(3-(trifluoromethyl)phenyl)-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine
CID 709063
2-(2-Iodo-phenyl)-2,3-dihydro-1H-naphtho[1,2-E][1,3]oxazine
CID 615816
2-(4-methoxyphenyl)-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine
CID 721212
1-[(4-Methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1378278

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine?
The IUPAC name of 8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine (CID 162559488) is 8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine.
What is the SMILES notation for 8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine?
The canonical SMILES for 8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine is Fc1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4.
What is the InChIKey of 8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine?
The InChIKey is XUQSGHVRJBVUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4N2O2/c28-22-6-2-4-8-24(22)33-14-20-10-17-9-19-13-32(23-7-3-1-5-21(23)27(29,30)31)15-34-25(19)11-18(17)12-26(20)35-16-33/h1-12H,13-16H2.
What are the key properties of 8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine?
8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine has a molecular weight of 480.46 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine is sourced from PubChem (CID 162559488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).