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

C14H11F2NO — CID 712157

IUPAC6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
SMILESFc1ccc2c(c1)CN(c1ccccc1F)CO2
InChIInChI=1S/C14H11F2NO/c15-11-5-6-14-10(7-11)8-17(9-18-14)13-4-2-1-3-12(13)16/h1-7H,8-9H2
InChIKeyXCXKOULYMPFESQ-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.32
Rot. Bonds1

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

6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 712157) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is 6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID712157
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
SMILESFc1ccc2c(c1)CN(c1ccccc1F)CO2
InChIInChI=1S/C14H11F2NO/c15-11-5-6-14-10(7-11)8-17(9-18-14)13-4-2-1-3-12(13)16/h1-7H,8-9H2
InChIKeyXCXKOULYMPFESQ-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
CID 892164
3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 4337747
1-(2-Fluorophenyl)-4-[4-(3-fluoropropoxy)benzyl]piperazine
CID 3726733
6-tert-butyl-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 938805
6,6'-Methylenebis(3-phenyl-3,4-dihydro-2H-1,3-benzoxazine)
CID 20582009
1-(2,6-Difluorobenzyl)-4-(2-methoxyphenyl)piperazine
CID 782311
1-[3-(2-Methoxyphenyl)-2-propen-1-yl]-4-phenylpiperazine
CID 783076
N-[2-(allyloxy)benzyl]-3-fluoroaniline
CID 2245161
1-[(E)-4-(4-Fluoro-phenyl)-but-3-enyl]-4-(2-methoxy-phenyl)-piperazine
CID 10688524
1-(4-Fluorophenyl)-4-[1-(2-methoxybenzyl)piperidin-3-yl]piperazine
CID 23723290
6-Fluoro-3-(4-isopropylphenyl)-1,3-benzoxazine-2,4-dithione
CID 52942430
6-Fluoro-3-(4-sec-butylphenyl)-1,3-benzoxazine-2,4-dithione
CID 52946327

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine (CID 712157) is 6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine is Fc1ccc2c(c1)CN(c1ccccc1F)CO2.
What is the InChIKey of 6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is XCXKOULYMPFESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c15-11-5-6-14-10(7-11)8-17(9-18-14)13-4-2-1-3-12(13)16/h1-7H,8-9H2.
What are the key properties of 6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 247.24 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-fluorophenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 712157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).