(4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

C18H20F5NO2 — CID 164642996

IUPAC(4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H20F5NO2/c19-17(20)7-5-13(6-8-17)16(25)24-9-10-26-15(11-24)12-1-3-14(4-2-12)18(21,22)23/h1-4,13,15H,5-11H2/t15-/m0/s1
InChIKeyWVKYTXWXQNVWLF-HNNXBMFYSA-N
MW377.35 g/mol
LogP4.43
Rot. Bonds2

About (4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

(4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 164642996) has the molecular formula C18H20F5NO2 and a molecular weight of 377.35 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID164642996
Molecular FormulaC18H20F5NO2
Molecular Weight377.35 g/mol
Exact Mass377.14
IUPAC Name(4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H20F5NO2/c19-17(20)7-5-13(6-8-17)16(25)24-9-10-26-15(11-24)12-1-3-14(4-2-12)18(21,22)23/h1-4,13,15H,5-11H2/t15-/m0/s1
InChIKeyWVKYTXWXQNVWLF-HNNXBMFYSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidine-1-carbonyl)piperidin-1-yl)ethanone
CID 44444643
N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-2-ylphenyl)phenyl]pentanamide
CID 44348116
1-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 10549679
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
4-Methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
CID 10634995
1-(4-((Benzyloxy)methyl)piperidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 49677786
2-(3-Fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
CID 53150623
1-(4-{2-[(3-Fluorobenzyl)oxy]ethyl}piperidino)-2-(2-fluorophenyl)-1-ethanone
CID 53150635
2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one
CID 53150639
2-(4-Fluorophenyl)-1-(2-(4-(trifluoromethyl)phenyl)morpholino)ethanone
CID 56763872
1-(2-Oxo-2-(2-(4-(trifluoromethyl)phenyl)morpholino)ethyl)pyrrolidine-2,5-dione
CID 56763875
1-[2-(4-Fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 56819708

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 164642996) is (4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is O=C(C1CCC(F)(F)CC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is WVKYTXWXQNVWLF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20F5NO2/c19-17(20)7-5-13(6-8-17)16(25)24-9-10-26-15(11-24)12-1-3-14(4-2-12)18(21,22)23/h1-4,13,15H,5-11H2/t15-/m0/s1.
What are the key properties of (4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 377.35 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164642996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).