N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine

C10H14F3NS — CID 65104734

IUPACN-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCCNC(CC(F)(F)F)c1csc(C)c1
InChIInChI=1S/C10H14F3NS/c1-3-14-9(5-10(11,12)13)8-4-7(2)15-6-8/h4,6,9,14H,3,5H2,1-2H3
InChIKeyWIRXAMPMZKCTFM-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.66
Rot. Bonds4

About N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine

N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine (PubChem CID 65104734) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine
PubChem CID65104734
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC NameN-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCCNC(CC(F)(F)F)c1csc(C)c1
InChIInChI=1S/C10H14F3NS/c1-3-14-9(5-10(11,12)13)8-4-7(2)15-6-8/h4,6,9,14H,3,5H2,1-2H3
InChIKeyWIRXAMPMZKCTFM-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine (CID 65104734) is N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine is CCNC(CC(F)(F)F)c1csc(C)c1.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine?
The InChIKey is WIRXAMPMZKCTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS/c1-3-14-9(5-10(11,12)13)8-4-7(2)15-6-8/h4,6,9,14H,3,5H2,1-2H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine?
N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine has a molecular weight of 237.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine is sourced from PubChem (CID 65104734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).