[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine

C9H12F3NOS — CID 80728463

IUPAC[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1COCC(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-6-7(2-8(3-13)15-6)4-14-5-9(10,11)12/h2H,3-5,13H2,1H3
InChIKeyCJLZOWCBMPRAFF-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.59
Rot. Bonds4

About [5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine

[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine (PubChem CID 80728463) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is [5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine
PubChem CID80728463
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1COCC(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-6-7(2-8(3-13)15-6)4-14-5-9(10,11)12/h2H,3-5,13H2,1H3
InChIKeyCJLZOWCBMPRAFF-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine (CID 80728463) is [5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine is Cc1sc(CN)cc1COCC(F)(F)F.
What is the InChIKey of [5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine?
The InChIKey is CJLZOWCBMPRAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-6-7(2-8(3-13)15-6)4-14-5-9(10,11)12/h2H,3-5,13H2,1H3.
What are the key properties of [5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine?
[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine has a molecular weight of 239.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 80728463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).