morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone

C14H12F3NO2S — CID 1477957

IUPACmorpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone
SMILESO=C(c1cc2cc(C(F)(F)F)ccc2s1)N1CCOCC1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)10-1-2-11-9(7-10)8-12(21-11)13(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
InChIKeyXPVYNPFQBQCZOS-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.39
Rot. Bonds1

About morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone

morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone (PubChem CID 1477957) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone
PubChem CID1477957
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Namemorpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone
SMILESO=C(c1cc2cc(C(F)(F)F)ccc2s1)N1CCOCC1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)10-1-2-11-9(7-10)8-12(21-11)13(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
InChIKeyXPVYNPFQBQCZOS-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone (CID 1477957) is morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone is O=C(c1cc2cc(C(F)(F)F)ccc2s1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone?
The InChIKey is XPVYNPFQBQCZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)10-1-2-11-9(7-10)8-12(21-11)13(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2.
What are the key properties of morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone?
morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone has a molecular weight of 315.32 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(trifluoromethyl)-1-benzothiophen-2-yl]methanone is sourced from PubChem (CID 1477957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).