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

C12H14FNO — CID 84620876

IUPAC8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESFc1ccc2c(c1)NC1CCCCC1O2
InChIInChI=1S/C12H14FNO/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h5-7,9,11,14H,1-4H2
InChIKeySDHFRATYWDJFLR-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.94
Rot. Bonds

About 8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 84620876) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID84620876
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESFc1ccc2c(c1)NC1CCCCC1O2
InChIInChI=1S/C12H14FNO/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h5-7,9,11,14H,1-4H2
InChIKeySDHFRATYWDJFLR-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

2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 115825695
7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 84620880
(5aS,11aR)-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 54857340
5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine
CID 164602655
3-methyl-6,7,8,9,10,11,12,13,14,15,15a,16-dodecahydro-5aH-cyclododeca[b][1,4]benzoxazine
CID 115825557
2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
CID 145256711
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825490
2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714168
1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine
CID 84621363
2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine
CID 115825597
(9S)-14-fluoro-10-oxa-3,18,22,23,26-pentazapentacyclo[17.5.2.04,9.011,16.022,25]hexacosa-1(25),11(16),12,14,19(26),20,23-heptaen-2-one
CID 145224611

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 84620876) is 8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is Fc1ccc2c(c1)NC1CCCCC1O2.
What is the InChIKey of 8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is SDHFRATYWDJFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h5-7,9,11,14H,1-4H2.
What are the key properties of 8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
8-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 8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 84620876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).