2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C15H16F3NOS — CID 60909333

IUPAC2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(NCC(O)c1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C15H16F3NOS/c1-10(14-6-3-7-21-14)19-9-13(20)11-4-2-5-12(8-11)15(16,17)18/h2-8,10,13,19-20H,9H2,1H3
InChIKeyZVNRLNDTARAZBR-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.15
Rot. Bonds5

About 2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 60909333) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID60909333
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(NCC(O)c1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C15H16F3NOS/c1-10(14-6-3-7-21-14)19-9-13(20)11-4-2-5-12(8-11)15(16,17)18/h2-8,10,13,19-20H,9H2,1H3
InChIKeyZVNRLNDTARAZBR-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 60909333) is 2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is CC(NCC(O)c1cccc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ZVNRLNDTARAZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c1-10(14-6-3-7-21-14)19-9-13(20)11-4-2-5-12(8-11)15(16,17)18/h2-8,10,13,19-20H,9H2,1H3.
What are the key properties of 2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 315.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60909333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).