(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone

C12H13BrFNO2 — CID 172647340

IUPAC(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2c(F)cccc2Br)CCO1
InChIInChI=1S/C12H13BrFNO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3/t8-/m1/s1
InChIKeyJRMXIIQPRGVXJP-MRVPVSSYSA-N
MW302.14 g/mol
LogP2.45
Rot. Bonds1

About (2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone

(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 172647340) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID172647340
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2c(F)cccc2Br)CCO1
InChIInChI=1S/C12H13BrFNO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3/t8-/m1/s1
InChIKeyJRMXIIQPRGVXJP-MRVPVSSYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647342
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349
(2-bromo-6-fluorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 113265714
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 115737432
(2-bromo-6-fluorophenyl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124569718
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone;hydrochloride
CID 119592569
(2-bromo-6-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564706
(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 171382981
1-(2-bromo-6-fluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119668
(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103733511
(4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51456697

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone (CID 172647340) is (2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2c(F)cccc2Br)CCO1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is JRMXIIQPRGVXJP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 302.14 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 172647340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).