(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride

C10H11BrClF2NO — CID 171193198

IUPAC(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1cc(Br)cc(F)c1[C@H]1COCCN1
InChIInChI=1S/C10H10BrF2NO.ClH/c11-6-3-7(12)10(8(13)4-6)9-5-15-2-1-14-9;/h3-4,9,14H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyDLFYNOQZWDICCS-SBSPUUFOSA-N
MW314.56 g/mol
LogP2.81
Rot. Bonds1

About (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride

(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride (PubChem CID 171193198) has the molecular formula C10H11BrClF2NO and a molecular weight of 314.56 g/mol. Its IUPAC name is (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
PubChem CID171193198
Molecular FormulaC10H11BrClF2NO
Molecular Weight314.56 g/mol
Exact Mass312.97
IUPAC Name(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1cc(Br)cc(F)c1[C@H]1COCCN1
InChIInChI=1S/C10H10BrF2NO.ClH/c11-6-3-7(12)10(8(13)4-6)9-5-15-2-1-14-9;/h3-4,9,14H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyDLFYNOQZWDICCS-SBSPUUFOSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol
CID 131514862
(3S)-3-(4-bromo-2-fluorophenyl)morpholine
CID 130618619
(3S)-3-(3-bromo-5-fluorophenyl)morpholine
CID 130605575
3-(3,5-dibromophenyl)morpholine
CID 126971173
3-(4-bromo-2,6-dimethoxyphenyl)morpholine
CID 154562086
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
(3R)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171192647
(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171193179
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
(3S)-3-(3,4,5-trifluorophenyl)morpholine
CID 131573948
(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
CID 171192618
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride (CID 171193198) is (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride is Cl.Fc1cc(Br)cc(F)c1[C@H]1COCCN1.
What is the InChIKey of (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride?
The InChIKey is DLFYNOQZWDICCS-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H10BrF2NO.ClH/c11-6-3-7(12)10(8(13)4-6)9-5-15-2-1-14-9;/h3-4,9,14H,1-2,5H2;1H/t9-;/m1./s1.
What are the key properties of (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride?
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride has a molecular weight of 314.56 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride is sourced from PubChem (CID 171193198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).