(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone

C12H12BrF2NO2 — CID 71683349

IUPAC(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2c(F)cc(Br)cc2F)CCO1
InChIInChI=1S/C12H12BrF2NO2/c1-7-6-16(2-3-18-7)12(17)11-9(14)4-8(13)5-10(11)15/h4-5,7H,2-3,6H2,1H3
InChIKeySYEOLHIWLRIYNT-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.59
Rot. Bonds1

About (4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone

(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 71683349) has the molecular formula C12H12BrF2NO2 and a molecular weight of 320.13 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID71683349
Molecular FormulaC12H12BrF2NO2
Molecular Weight320.13 g/mol
Exact Mass319.00
IUPAC Name(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2c(F)cc(Br)cc2F)CCO1
InChIInChI=1S/C12H12BrF2NO2/c1-7-6-16(2-3-18-7)12(17)11-9(14)4-8(13)5-10(11)15/h4-5,7H,2-3,6H2,1H3
InChIKeySYEOLHIWLRIYNT-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(4-bromo-2,6-difluorophenyl)-[2-(bromomethyl)-6-methylmorpholin-4-yl]methanone
CID 102937775
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
(5-bromo-2-fluoro-4-pyridinyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647405
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
(3-bromo-4-iodophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647300
(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 171382981
(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124517167
(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647342
(5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 56814055
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43640671

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone (CID 71683349) is (4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2c(F)cc(Br)cc2F)CCO1.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is SYEOLHIWLRIYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2NO2/c1-7-6-16(2-3-18-7)12(17)11-9(14)4-8(13)5-10(11)15/h4-5,7H,2-3,6H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone?
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 320.13 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 71683349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).