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

C15H14FNO2 — CID 116837206

IUPAC3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(C2COc3ccccc3N2)cc1F
InChIInChI=1S/C15H14FNO2/c1-18-14-7-6-10(8-11(14)16)13-9-19-15-5-3-2-4-12(15)17-13/h2-8,13,17H,9H2,1H3
InChIKeyOBFRUXCZFKAJRF-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.38
Rot. Bonds2

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

3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116837206) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116837206
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(C2COc3ccccc3N2)cc1F
InChIInChI=1S/C15H14FNO2/c1-18-14-7-6-10(8-11(14)16)13-9-19-15-5-3-2-4-12(15)17-13/h2-8,13,17H,9H2,1H3
InChIKeyOBFRUXCZFKAJRF-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837207
3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837257
3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 102567383
3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837220
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
3-(1H-pyrrol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837233
5-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)-3H-1,3-benzoxazol-2-one
CID 116837252
2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3910752
3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837271
3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116837497
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116837206) is 3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine is COc1ccc(C2COc3ccccc3N2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is OBFRUXCZFKAJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-18-14-7-6-10(8-11(14)16)13-9-19-15-5-3-2-4-12(15)17-13/h2-8,13,17H,9H2,1H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 259.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116837206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).