8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole

C18H16FNO — CID 139261391

IUPAC8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
SMILESCC1(c2ccccc2)OCCn2c1cc1cc(F)ccc12
InChIInChI=1S/C18H16FNO/c1-18(14-5-3-2-4-6-14)17-12-13-11-15(19)7-8-16(13)20(17)9-10-21-18/h2-8,11-12H,9-10H2,1H3
InChIKeyYTQPGJOZGXNOSU-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.07
Rot. Bonds1

About 8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole

8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole (PubChem CID 139261391) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
PubChem CID139261391
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
SMILESCC1(c2ccccc2)OCCn2c1cc1cc(F)ccc12
InChIInChI=1S/C18H16FNO/c1-18(14-5-3-2-4-6-14)17-12-13-11-15(19)7-8-16(13)20(17)9-10-21-18/h2-8,11-12H,9-10H2,1H3
InChIKeyYTQPGJOZGXNOSU-UHFFFAOYSA-N
XLogP4.07
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Siramesine
CID 9829526
Cebranopadol
CID 11848225
1''-[4-(1-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
4-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10073546
5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322581
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride
CID 66986402
2-(Methoxymethyl)-1-methyl-5-nitro-3-phenylindole
CID 748659
2'-(2-iodo-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176144
1-methyl-5-nitro-3-phenyl-2-(propoxymethyl)-1H-indole
CID 71148612
2-((benzyloxy)methyl)-1-methyl-5-nitro-3-phenyl-1H-indole
CID 71148622
Lexanopadol
CID 24798598

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole (CID 139261391) is 8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole is CC1(c2ccccc2)OCCn2c1cc1cc(F)ccc12.
What is the InChIKey of 8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The InChIKey is YTQPGJOZGXNOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-18(14-5-3-2-4-6-14)17-12-13-11-15(19)7-8-16(13)20(17)9-10-21-18/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole has a molecular weight of 281.33 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 139261391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).