7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine

C16H14FNO2 — CID 115825652

IUPAC7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
SMILESCOc1ccc2c(c1)C1Oc3cc(F)ccc3NC1C2
InChIInChI=1S/C16H14FNO2/c1-19-11-4-2-9-6-14-16(12(9)8-11)20-15-7-10(17)3-5-13(15)18-14/h2-5,7-8,14,16,18H,6H2,1H3
InChIKeyNHBYFXGOTAWCOF-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.30
Rot. Bonds1

About 7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine

7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine (PubChem CID 115825652) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
PubChem CID115825652
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
SMILESCOc1ccc2c(c1)C1Oc3cc(F)ccc3NC1C2
InChIInChI=1S/C16H14FNO2/c1-19-11-4-2-9-6-14-16(12(9)8-11)20-15-7-10(17)3-5-13(15)18-14/h2-5,7-8,14,16,18H,6H2,1H3
InChIKeyNHBYFXGOTAWCOF-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 115825727
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501
2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
CID 114287478
2-(4-fluorophenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374018
4-[(6R)-2-fluoro-8-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidin-1-ium
CID 6961319
(5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 70355656
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
(3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11543938
1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 138972518
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 102983334
2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 102981057

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
The IUPAC name of 7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine (CID 115825652) is 7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine.
What is the SMILES notation for 7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
The canonical SMILES for 7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine is COc1ccc2c(c1)C1Oc3cc(F)ccc3NC1C2.
What is the InChIKey of 7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
The InChIKey is NHBYFXGOTAWCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-19-11-4-2-9-6-14-16(12(9)8-11)20-15-7-10(17)3-5-13(15)18-14/h2-5,7-8,14,16,18H,6H2,1H3.
What are the key properties of 7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine has a molecular weight of 271.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine is sourced from PubChem (CID 115825652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).