(2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine

C16H13ClF4N2O — CID 36726620

IUPAC(2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
SMILESFc1ccc([C@H]2CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cc1
InChIInChI=1S/C16H13ClF4N2O/c17-13-7-11(16(19,20)21)8-22-15(13)23-5-6-24-14(9-23)10-1-3-12(18)4-2-10/h1-4,7-8,14H,5-6,9H2/t14-/m1/s1
InChIKeyFZOKZWWWCKPFED-CQSZACIVSA-N
MW360.74 g/mol
LogP4.47
Rot. Bonds2

About (2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine

(2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine (PubChem CID 36726620) has the molecular formula C16H13ClF4N2O and a molecular weight of 360.74 g/mol. Its IUPAC name is (2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
PubChem CID36726620
Molecular FormulaC16H13ClF4N2O
Molecular Weight360.74 g/mol
Exact Mass360.07
IUPAC Name(2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
SMILESFc1ccc([C@H]2CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cc1
InChIInChI=1S/C16H13ClF4N2O/c17-13-7-11(16(19,20)21)8-22-15(13)23-5-6-24-14(9-23)10-1-3-12(18)4-2-10/h1-4,7-8,14H,5-6,9H2/t14-/m1/s1
InChIKeyFZOKZWWWCKPFED-CQSZACIVSA-N
XLogP4.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 133449777
4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine
CID 56877170
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
CID 71643949
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297
(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94180497
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 36726848
2-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 55345059
4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449807

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine?
The IUPAC name of (2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine (CID 36726620) is (2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for (2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine?
The canonical SMILES for (2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine is Fc1ccc([C@H]2CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cc1.
What is the InChIKey of (2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine?
The InChIKey is FZOKZWWWCKPFED-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13ClF4N2O/c17-13-7-11(16(19,20)21)8-22-15(13)23-5-6-24-14(9-23)10-1-3-12(18)4-2-10/h1-4,7-8,14H,5-6,9H2/t14-/m1/s1.
What are the key properties of (2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine?
(2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine has a molecular weight of 360.74 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 36726620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).