2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine

C14H18FNO — CID 115825695

IUPAC2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
SMILESFc1ccc2c(c1)NC1CCCCCCC1O2
InChIInChI=1S/C14H18FNO/c15-10-7-8-14-12(9-10)16-11-5-3-1-2-4-6-13(11)17-14/h7-9,11,13,16H,1-6H2
InChIKeyGGMJBWVIKNVSKL-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.72
Rot. Bonds

About 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine

2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine (PubChem CID 115825695) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine.

Molecular Properties

Compound Name2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
PubChem CID115825695
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
SMILESFc1ccc2c(c1)NC1CCCCCCC1O2
InChIInChI=1S/C14H18FNO/c15-10-7-8-14-12(9-10)16-11-5-3-1-2-4-6-13(11)17-14/h7-9,11,13,16H,1-6H2
InChIKeyGGMJBWVIKNVSKL-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine with MolForge

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Related Compounds

8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 84620876
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
3-methyl-6,7,8,9,10,11,12,13,14,15,15a,16-dodecahydro-5aH-cyclododeca[b][1,4]benzoxazine
CID 115825557
5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine
CID 164602655
2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
CID 145256711
2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714168
1-methyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b][1,4]benzoxazine
CID 115825603
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710547
8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825490
2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine
CID 115825597

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine?
The IUPAC name of 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine (CID 115825695) is 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine.
What is the SMILES notation for 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine?
The canonical SMILES for 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine is Fc1ccc2c(c1)NC1CCCCCCC1O2.
What is the InChIKey of 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine?
The InChIKey is GGMJBWVIKNVSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-10-7-8-14-12(9-10)16-11-5-3-1-2-4-6-13(11)17-14/h7-9,11,13,16H,1-6H2.
What are the key properties of 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine?
2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine has a molecular weight of 235.30 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine is sourced from PubChem (CID 115825695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).