(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride

C13H16Cl2F3NO — CID 155765890

IUPAC(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride
SMILESCl.FC(F)(F)C[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H15ClF3NO.ClH/c14-10-3-1-9(2-4-10)5-11-8-19-12(7-18-11)6-13(15,16)17;/h1-4,11-12,18H,5-8H2;1H/t11-,12-;/m0./s1
InChIKeyHHAKCUPEKDEXOW-FXMYHANSSA-N
MW330.18 g/mol
LogP3.61
Rot. Bonds3

About (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride

(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride (PubChem CID 155765890) has the molecular formula C13H16Cl2F3NO and a molecular weight of 330.18 g/mol. Its IUPAC name is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride
PubChem CID155765890
Molecular FormulaC13H16Cl2F3NO
Molecular Weight330.18 g/mol
Exact Mass329.06
IUPAC Name(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride
SMILESCl.FC(F)(F)C[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H15ClF3NO.ClH/c14-10-3-1-9(2-4-10)5-11-8-19-12(7-18-11)6-13(15,16)17;/h1-4,11-12,18H,5-8H2;1H/t11-,12-;/m0./s1
InChIKeyHHAKCUPEKDEXOW-FXMYHANSSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
CID 170360871
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
CID 163211298
(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
CID 169042690
3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol
CID 155765794
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one
CID 155577011
(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
CID 170360607
2-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-yl 2,2,2-trifluoroacetate
CID 126641966
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile
CID 155577047
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
CID 170364767
1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]prop-2-yn-1-one
CID 155577166
(2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride
CID 158560711
methyl 3-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methylsulfonyl]propanoate
CID 169321080

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride?
The IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride (CID 155765890) is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride.
What is the SMILES notation for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride?
The canonical SMILES for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride is Cl.FC(F)(F)C[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride?
The InChIKey is HHAKCUPEKDEXOW-FXMYHANSSA-N. The full InChI is InChI=1S/C13H15ClF3NO.ClH/c14-10-3-1-9(2-4-10)5-11-8-19-12(7-18-11)6-13(15,16)17;/h1-4,11-12,18H,5-8H2;1H/t11-,12-;/m0./s1.
What are the key properties of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride?
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride has a molecular weight of 330.18 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride is sourced from PubChem (CID 155765890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).