N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C10H14F3NOS — CID 60733755

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1ccc(CNCCOCC(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-8-2-3-9(16-8)6-14-4-5-15-7-10(11,12)13/h2-3,14H,4-7H2,1H3
InChIKeyMURDCNNOWQYHQF-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.73
Rot. Bonds6

About N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 60733755) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID60733755
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1ccc(CNCCOCC(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-8-2-3-9(16-8)6-14-4-5-15-7-10(11,12)13/h2-3,14H,4-7H2,1H3
InChIKeyMURDCNNOWQYHQF-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 60733755) is N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1ccc(CNCCOCC(F)(F)F)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is MURDCNNOWQYHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-8-2-3-9(16-8)6-14-4-5-15-7-10(11,12)13/h2-3,14H,4-7H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 253.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 60733755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).