(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride

C10H12BrClFNO — CID 171193150

IUPAC(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1cccc([C@H]2COCCN2)c1Br
InChIInChI=1S/C10H11BrFNO.ClH/c11-10-7(2-1-3-8(10)12)9-6-14-5-4-13-9;/h1-3,9,13H,4-6H2;1H/t9-;/m1./s1
InChIKeySYZDXFFISCCAKR-SBSPUUFOSA-N
MW296.57 g/mol
LogP2.67
Rot. Bonds1

About (3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride

(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride (PubChem CID 171193150) has the molecular formula C10H12BrClFNO and a molecular weight of 296.57 g/mol. Its IUPAC name is (3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride
PubChem CID171193150
Molecular FormulaC10H12BrClFNO
Molecular Weight296.57 g/mol
Exact Mass294.98
IUPAC Name(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1cccc([C@H]2COCCN2)c1Br
InChIInChI=1S/C10H11BrFNO.ClH/c11-10-7(2-1-3-8(10)12)9-6-14-5-4-13-9;/h1-3,9,13H,4-6H2;1H/t9-;/m1./s1
InChIKeySYZDXFFISCCAKR-SBSPUUFOSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.57
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2,3-difluorophenyl)morpholine;hydrochloride
CID 171192608
3-(3-bromo-2-fluorophenyl)morpholine
CID 83439764
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
(3S)-3-(4-bromo-2-fluorophenyl)morpholine
CID 130618619
2-(2-bromo-3-fluorophenyl)piperidine
CID 84709368
(3R)-3-naphthalen-1-ylmorpholine;hydrochloride
CID 171192824
3-fluoro-4-morpholin-3-ylphenol
CID 55271299
2-morpholin-3-ylphenol
CID 55294349
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride
CID 171192736

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride (CID 171193150) is (3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride is Cl.Fc1cccc([C@H]2COCCN2)c1Br.
What is the InChIKey of (3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride?
The InChIKey is SYZDXFFISCCAKR-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11BrFNO.ClH/c11-10-7(2-1-3-8(10)12)9-6-14-5-4-13-9;/h1-3,9,13H,4-6H2;1H/t9-;/m1./s1.
What are the key properties of (3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride?
(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride has a molecular weight of 296.57 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride is sourced from PubChem (CID 171193150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).