8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole

C12H14FNO — CID 139373350

IUPAC8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCC1=C2COCCN2C2CC=C(F)C=C12
InChIInChI=1S/C12H14FNO/c1-8-10-6-9(13)2-3-11(10)14-4-5-15-7-12(8)14/h2,6,11H,3-5,7H2,1H3
InChIKeyZKFXLGGVBIIZKS-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.16
Rot. Bonds

About 8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole

8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 139373350) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID139373350
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCC1=C2COCCN2C2CC=C(F)C=C12
InChIInChI=1S/C12H14FNO/c1-8-10-6-9(13)2-3-11(10)14-4-5-15-7-12(8)14/h2,6,11H,3-5,7H2,1H3
InChIKeyZKFXLGGVBIIZKS-UHFFFAOYSA-N
XLogP2.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
CID 163478368
4-[3-(Methoxymethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 173118582
3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
CID 141513166
10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
CID 163470832

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole (CID 139373350) is 8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole is CC1=C2COCCN2C2CC=C(F)C=C12.
What is the InChIKey of 8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is ZKFXLGGVBIIZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8-10-6-9(13)2-3-11(10)14-4-5-15-7-12(8)14/h2,6,11H,3-5,7H2,1H3.
What are the key properties of 8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 207.25 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-10-methyl-3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 139373350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).