5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile

C17H13F3N2O2S — CID 89127249

IUPAC5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(C=O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)12-3-1-2-11(8-12)15-13(9-21)16(25-14(15)10-23)22-4-6-24-7-5-22/h1-3,8,10H,4-7H2
InChIKeyUHMKORCGEJNYAI-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.95
Rot. Bonds3

About 5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile

5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile (PubChem CID 89127249) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile
PubChem CID89127249
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(C=O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)12-3-1-2-11(8-12)15-13(9-21)16(25-14(15)10-23)22-4-6-24-7-5-22/h1-3,8,10H,4-7H2
InChIKeyUHMKORCGEJNYAI-UHFFFAOYSA-N
XLogP3.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile?
The IUPAC name of 5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile (CID 89127249) is 5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile is N#Cc1c(N2CCOCC2)sc(C=O)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile?
The InChIKey is UHMKORCGEJNYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)12-3-1-2-11(8-12)15-13(9-21)16(25-14(15)10-23)22-4-6-24-7-5-22/h1-3,8,10H,4-7H2.
What are the key properties of 5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile?
5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile has a molecular weight of 366.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile is sourced from PubChem (CID 89127249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).