(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone

C15H11F2NO2 — CID 116610705

IUPAC(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cccc2c1OCCN2
InChIInChI=1S/C15H11F2NO2/c16-10-6-9(7-11(17)8-10)14(19)12-2-1-3-13-15(12)20-5-4-18-13/h1-3,6-8,18H,4-5H2
InChIKeyUVCYIGDRJNOYBD-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.00
Rot. Bonds2

About (3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone

(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone (PubChem CID 116610705) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone
PubChem CID116610705
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cccc2c1OCCN2
InChIInChI=1S/C15H11F2NO2/c16-10-6-9(7-11(17)8-10)14(19)12-2-1-3-13-15(12)20-5-4-18-13/h1-3,6-8,18H,4-5H2
InChIKeyUVCYIGDRJNOYBD-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone
CID 116610704
3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
CID 102652618
2-(2,5-difluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 116610587
2-(5-chloro-2-fluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 103052467
N-(3-bromo-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 104778252
2-(4-chloro-3-fluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 107890399
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114332154
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106276424
1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2-(4-iodophenyl)ethanone
CID 116610685
N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106325257
potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide
CID 167725827
4-(3,4-dihydro-2H-1,4-benzoxazine-8-carbonylamino)-2-hydroxybutanoic acid
CID 107836065

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone (CID 116610705) is (3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone is O=C(c1cc(F)cc(F)c1)c1cccc2c1OCCN2.
What is the InChIKey of (3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone?
The InChIKey is UVCYIGDRJNOYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-10-6-9(7-11(17)8-10)14(19)12-2-1-3-13-15(12)20-5-4-18-13/h1-3,6-8,18H,4-5H2.
What are the key properties of (3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone?
(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone has a molecular weight of 275.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone is sourced from PubChem (CID 116610705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).