2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile

C11H11F3N2OS — CID 13398698

IUPAC2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile
SMILESN#CC(c1csc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C11H11F3N2OS/c12-11(13,14)10-5-8(7-18-10)9(6-15)16-1-3-17-4-2-16/h5,7,9H,1-4H2
InChIKeyUBOWWVOPMXDPGV-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.66
Rot. Bonds2

About 2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile

2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile (PubChem CID 13398698) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile
PubChem CID13398698
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC Name2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile
SMILESN#CC(c1csc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C11H11F3N2OS/c12-11(13,14)10-5-8(7-18-10)9(6-15)16-1-3-17-4-2-16/h5,7,9H,1-4H2
InChIKeyUBOWWVOPMXDPGV-UHFFFAOYSA-N
XLogP2.66
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile?
The IUPAC name of 2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile (CID 13398698) is 2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile.
What is the SMILES notation for 2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile?
The canonical SMILES for 2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile is N#CC(c1csc(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile?
The InChIKey is UBOWWVOPMXDPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c12-11(13,14)10-5-8(7-18-10)9(6-15)16-1-3-17-4-2-16/h5,7,9H,1-4H2.
What are the key properties of 2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile?
2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile has a molecular weight of 276.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-[5-(trifluoromethyl)thiophen-3-yl]acetonitrile is sourced from PubChem (CID 13398698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).