4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine

C15H14F3NOS — CID 174626997

IUPAC4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine
SMILESFC(F)(F)c1ccc(-c2sccc2N2CCOCC2)cc1
InChIInChI=1S/C15H14F3NOS/c16-15(17,18)12-3-1-11(2-4-12)14-13(5-10-21-14)19-6-8-20-9-7-19/h1-5,10H,6-9H2
InChIKeyNGVZWNBADHWSAB-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.27
Rot. Bonds2

About 4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine

4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine (PubChem CID 174626997) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine
PubChem CID174626997
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine
SMILESFC(F)(F)c1ccc(-c2sccc2N2CCOCC2)cc1
InChIInChI=1S/C15H14F3NOS/c16-15(17,18)12-3-1-11(2-4-12)14-13(5-10-21-14)19-6-8-20-9-7-19/h1-5,10H,6-9H2
InChIKeyNGVZWNBADHWSAB-UHFFFAOYSA-N
XLogP4.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine?
The IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine (CID 174626997) is 4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine is FC(F)(F)c1ccc(-c2sccc2N2CCOCC2)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine?
The InChIKey is NGVZWNBADHWSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c16-15(17,18)12-3-1-11(2-4-12)14-13(5-10-21-14)19-6-8-20-9-7-19/h1-5,10H,6-9H2.
What are the key properties of 4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine?
4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine has a molecular weight of 313.34 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine is sourced from PubChem (CID 174626997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).