7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

C12H14FNO — CID 84620880

IUPAC7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESFc1ccc2c(c1)OC1CCCCC1N2
InChIInChI=1S/C12H14FNO/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h5-7,9,11,14H,1-4H2
InChIKeyNVXOWWTWPJERRK-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.94
Rot. Bonds

About 7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 84620880) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID84620880
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESFc1ccc2c(c1)OC1CCCCC1N2
InChIInChI=1S/C12H14FNO/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h5-7,9,11,14H,1-4H2
InChIKeyNVXOWWTWPJERRK-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 84620876
2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 115825695
3-methyl-6,7,8,9,10,11,12,13,14,15,15a,16-dodecahydro-5aH-cyclododeca[b][1,4]benzoxazine
CID 115825557
(5aS,11aR)-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 54857340
(1R,2R,3aR,9aS)-2-amino-6-fluoro-1,2,3,3a,9,9a-hexahydrocyclopenta[b][1,4]benzoxazin-1-ol
CID 110157289
6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole
CID 146504695
7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 115825652
7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 112585711
2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715832
2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
CID 145256711
(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 68554157
1-methyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b][1,4]benzoxazine
CID 115825603

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 84620880) is 7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is Fc1ccc2c(c1)OC1CCCCC1N2.
What is the InChIKey of 7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is NVXOWWTWPJERRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h5-7,9,11,14H,1-4H2.
What are the key properties of 7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 207.25 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 84620880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).