4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

C14H17ClFNO — CID 166124256

IUPAC4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESFc1cccc(Cl)c1C12CCCCC1OCCN2
InChIInChI=1S/C14H17ClFNO/c15-10-4-3-5-11(16)13(10)14-7-2-1-6-12(14)18-9-8-17-14/h3-5,12,17H,1-2,6-9H2
InChIKeyWSKMABKWWNHPCK-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.24
Rot. Bonds1

About 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 166124256) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID166124256
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESFc1cccc(Cl)c1C12CCCCC1OCCN2
InChIInChI=1S/C14H17ClFNO/c15-10-4-3-5-11(16)13(10)14-7-2-1-6-12(14)18-9-8-17-14/h3-5,12,17H,1-2,6-9H2
InChIKeyWSKMABKWWNHPCK-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine with MolForge

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Related Compounds

4a-(2,6-dimethylphenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;hydrochloride
CID 156783329
6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol
CID 79330942
2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine
CID 82084820
1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
CID 82292861
1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate
CID 7678896
1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine
CID 66431353
2-(2-chloro-6-fluorophenyl)-1,3-dioxane
CID 82113848
1-chloro-2-cyclopentyloxy-3-fluorobenzene
CID 130057769
10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane
CID 64871995
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
2-(2-chloro-6-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 55047758
2-(2-chloro-6-fluorophenyl)spiro[3.3]heptan-2-amine
CID 65009703

Frequently Asked Questions

What is the IUPAC name of 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 166124256) is 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is Fc1cccc(Cl)c1C12CCCCC1OCCN2.
What is the InChIKey of 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is WSKMABKWWNHPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-10-4-3-5-11(16)13(10)14-7-2-1-6-12(14)18-9-8-17-14/h3-5,12,17H,1-2,6-9H2.
What are the key properties of 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 269.75 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(2-chloro-6-fluorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 166124256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).