2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine

C11H16F3NS — CID 114749186

IUPAC2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine
SMILESCc1scc(CNCC(F)(F)F)c1C(C)C
InChIInChI=1S/C11H16F3NS/c1-7(2)10-8(3)16-5-9(10)4-15-6-11(12,13)14/h5,7,15H,4,6H2,1-3H3
InChIKeyPZMPMZAHXNMZAX-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.83
Rot. Bonds4

About 2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine (PubChem CID 114749186) has the molecular formula C11H16F3NS and a molecular weight of 251.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine
PubChem CID114749186
Molecular FormulaC11H16F3NS
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine
SMILESCc1scc(CNCC(F)(F)F)c1C(C)C
InChIInChI=1S/C11H16F3NS/c1-7(2)10-8(3)16-5-9(10)4-15-6-11(12,13)14/h5,7,15H,4,6H2,1-3H3
InChIKeyPZMPMZAHXNMZAX-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine (CID 114749186) is 2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine is Cc1scc(CNCC(F)(F)F)c1C(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
The InChIKey is PZMPMZAHXNMZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NS/c1-7(2)10-8(3)16-5-9(10)4-15-6-11(12,13)14/h5,7,15H,4,6H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine has a molecular weight of 251.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114749186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).