6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine

C15H14FNO2 — CID 712131

IUPAC6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccccc1N1COc2ccc(F)cc2C1
InChIInChI=1S/C15H14FNO2/c1-18-15-5-3-2-4-13(15)17-9-11-8-12(16)6-7-14(11)19-10-17/h2-8H,9-10H2,1H3
InChIKeyRQWKTLWYEUWDAG-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.19
Rot. Bonds2

About 6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine

6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 712131) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID712131
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccccc1N1COc2ccc(F)cc2C1
InChIInChI=1S/C15H14FNO2/c1-18-15-5-3-2-4-13(15)17-9-11-8-12(16)6-7-14(11)19-10-17/h2-8H,9-10H2,1H3
InChIKeyRQWKTLWYEUWDAG-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_B(1)', 'substructure': 'N/A'}

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Related Compounds

[3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene
CID 3842295
3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine
CID 59742426
4-(2-methoxyphenyl)morpholine-2,6-dione
CID 63779029
7-chloro-4-(2-methoxyphenyl)-5H-1,4-benzoxazepin-3-one
CID 53152730
4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione
CID 63789775
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine
CID 175916234
6-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083473
7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine
CID 67855342
(5R)-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-(2-methoxyphenyl)-5-methyl-1,4-diazepane
CID 100715861

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine (CID 712131) is 6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine is COc1ccccc1N1COc2ccc(F)cc2C1.
What is the InChIKey of 6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is RQWKTLWYEUWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-18-15-5-3-2-4-13(15)17-9-11-8-12(16)6-7-14(11)19-10-17/h2-8H,9-10H2,1H3.
What are the key properties of 6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 259.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 712131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).