[3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine

C7H8F3NOS — CID 39202914

IUPAC[3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine
SMILESNCc1sccc1OCC(F)(F)F
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)4-12-5-1-2-13-6(5)3-11/h1-2H,3-4,11H2
InChIKeyHKJMDOSZKFSFHV-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.15
Rot. Bonds3

About [3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine

[3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine (PubChem CID 39202914) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine
PubChem CID39202914
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name[3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine
SMILESNCc1sccc1OCC(F)(F)F
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)4-12-5-1-2-13-6(5)3-11/h1-2H,3-4,11H2
InChIKeyHKJMDOSZKFSFHV-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine?
The IUPAC name of [3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine (CID 39202914) is [3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine.
What is the SMILES notation for [3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine?
The canonical SMILES for [3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine is NCc1sccc1OCC(F)(F)F.
What is the InChIKey of [3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine?
The InChIKey is HKJMDOSZKFSFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c8-7(9,10)4-12-5-1-2-13-6(5)3-11/h1-2H,3-4,11H2.
What are the key properties of [3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine?
[3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine has a molecular weight of 211.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethoxy)thiophen-2-yl]methanamine is sourced from PubChem (CID 39202914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).