thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

C17H16F3NO2S — CID 45218142

IUPACthiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1cccs1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)13-4-1-3-12(9-13)10-14-11-21(6-7-23-14)16(22)15-5-2-8-24-15/h1-5,8-9,14H,6-7,10-11H2
InChIKeyWUGUBPJCZNOREA-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.85
Rot. Bonds3

About thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 45218142) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID45218142
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Namethiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1cccs1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)13-4-1-3-12(9-13)10-14-11-21(6-7-23-14)16(22)15-5-2-8-24-15/h1-5,8-9,14H,6-7,10-11H2
InChIKeyWUGUBPJCZNOREA-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thienyl(3-{[4-(trifluoromethyl)benzyl]oxy}piperidino)methanone
CID 46028660
4-[(4-Fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053245
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-5-methyl-N-(tetrahydro-2-furanylmethyl)-2-thiophenecarboxamide
CID 45208136
[3-[(2,3-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46028967
[3-[(3,5-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46028994
[3-[(2,5-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46029051
N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 46059752
1-(3-Phenylmorpholin-4-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 71993259
1-(3-Phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71993260
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908288
4-[(4-Methylphenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053253
Cambridge id 6988043
CID 802595

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 45218142) is thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is O=C(c1cccs1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is WUGUBPJCZNOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c18-17(19,20)13-4-1-3-12(9-13)10-14-11-21(6-7-23-14)16(22)15-5-2-8-24-15/h1-5,8-9,14H,6-7,10-11H2.
What are the key properties of thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 355.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 45218142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).