(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride

C11H14Cl2FNO — CID 171193285

IUPAC(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
SMILESCc1ccc(F)c([C@H]2COCCN2)c1Cl.Cl
InChIInChI=1S/C11H13ClFNO.ClH/c1-7-2-3-8(13)10(11(7)12)9-6-15-5-4-14-9;/h2-3,9,14H,4-6H2,1H3;1H/t9-;/m1./s1
InChIKeyABLNCZPQERZFME-SBSPUUFOSA-N
MW266.14 g/mol
LogP2.87
Rot. Bonds1

About (3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride

(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride (PubChem CID 171193285) has the molecular formula C11H14Cl2FNO and a molecular weight of 266.14 g/mol. Its IUPAC name is (3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
PubChem CID171193285
Molecular FormulaC11H14Cl2FNO
Molecular Weight266.14 g/mol
Exact Mass265.04
IUPAC Name(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
SMILESCc1ccc(F)c([C@H]2COCCN2)c1Cl.Cl
InChIInChI=1S/C11H13ClFNO.ClH/c1-7-2-3-8(13)10(11(7)12)9-6-15-5-4-14-9;/h2-3,9,14H,4-6H2,1H3;1H/t9-;/m1./s1
InChIKeyABLNCZPQERZFME-SBSPUUFOSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243
(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
CID 171192935
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
3-(2,6-dimethylphenyl)morpholine
CID 55298000
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193448
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride (CID 171193285) is (3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride is Cc1ccc(F)c([C@H]2COCCN2)c1Cl.Cl.
What is the InChIKey of (3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride?
The InChIKey is ABLNCZPQERZFME-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H13ClFNO.ClH/c1-7-2-3-8(13)10(11(7)12)9-6-15-5-4-14-9;/h2-3,9,14H,4-6H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride?
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride has a molecular weight of 266.14 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride is sourced from PubChem (CID 171193285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).