4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine

C15H14FNO — CID 117007423

IUPAC4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(c2cccc(F)c2)c2ccccc2O1
InChIInChI=1S/C15H14FNO/c1-11-10-17(13-6-4-5-12(16)9-13)14-7-2-3-8-15(14)18-11/h2-9,11H,10H2,1H3
InChIKeySXXYUHWXJBLBPH-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.74
Rot. Bonds1

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

4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 117007423) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID117007423
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(c2cccc(F)c2)c2ccccc2O1
InChIInChI=1S/C15H14FNO/c1-11-10-17(13-6-4-5-12(16)9-13)14-7-2-3-8-15(14)18-11/h2-9,11H,10H2,1H3
InChIKeySXXYUHWXJBLBPH-UHFFFAOYSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 19748849
2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007407
4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
CID 117007415
(2R)-2-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 95051819
(2R)-4-[(3-fluorophenyl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42438630
(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
CID 58836526
(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 19748826
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
CID 117026431
2-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 58721924
3-(3-fluorophenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 77164925
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
(2R)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7547287

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine (CID 117007423) is 4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine is CC1CN(c2cccc(F)c2)c2ccccc2O1.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is SXXYUHWXJBLBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-11-10-17(13-6-4-5-12(16)9-13)14-7-2-3-8-15(14)18-11/h2-9,11H,10H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine?
4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 243.28 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117007423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).