N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

C10H14F3NS — CID 114749176

IUPACN-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1scc(CNCC(F)(F)F)c1C
InChIInChI=1S/C10H14F3NS/c1-3-9-7(2)8(5-15-9)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyHAKFMJRSKHXTLX-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.27
Rot. Bonds4

About N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 114749176) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID114749176
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC NameN-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1scc(CNCC(F)(F)F)c1C
InChIInChI=1S/C10H14F3NS/c1-3-9-7(2)8(5-15-9)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyHAKFMJRSKHXTLX-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 114749176) is N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is CCc1scc(CNCC(F)(F)F)c1C.
What is the InChIKey of N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is HAKFMJRSKHXTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS/c1-3-9-7(2)8(5-15-9)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 237.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114749176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).