7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole

C12H14FNO — CID 163478368

IUPAC7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCC1=C2COCCN2C2=CC(F)=CCC21
InChIInChI=1S/C12H14FNO/c1-8-10-3-2-9(13)6-11(10)14-4-5-15-7-12(8)14/h2,6,10H,3-5,7H2,1H3
InChIKeyCCKIOUJOYHGRLE-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.36
Rot. Bonds

About 7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole

7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 163478368) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID163478368
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCC1=C2COCCN2C2=CC(F)=CCC21
InChIInChI=1S/C12H14FNO/c1-8-10-3-2-9(13)6-11(10)14-4-5-15-7-12(8)14/h2,6,10H,3-5,7H2,1H3
InChIKeyCCKIOUJOYHGRLE-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole (CID 163478368) is 7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole is CC1=C2COCCN2C2=CC(F)=CCC21.
What is the InChIKey of 7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is CCKIOUJOYHGRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8-10-3-2-9(13)6-11(10)14-4-5-15-7-12(8)14/h2,6,10H,3-5,7H2,1H3.
What are the key properties of 7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 207.25 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 163478368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).