N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine

C10H14F3NOS — CID 107558000

IUPACN-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COCC(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-2-14-5-8-3-4-9(16-8)6-15-7-10(11,12)13/h3-4,14H,2,5-7H2,1H3
InChIKeySYUWWVFEOVVEEM-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.94
Rot. Bonds6

About N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 107558000) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID107558000
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC NameN-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COCC(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-2-14-5-8-3-4-9(16-8)6-15-7-10(11,12)13/h3-4,14H,2,5-7H2,1H3
InChIKeySYUWWVFEOVVEEM-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine (CID 107558000) is N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COCC(F)(F)F)s1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is SYUWWVFEOVVEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-2-14-5-8-3-4-9(16-8)6-15-7-10(11,12)13/h3-4,14H,2,5-7H2,1H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 253.29 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107558000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).