N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine

C8H10F3NS — CID 43490534

IUPACN-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine
SMILESCCNC(c1cccs1)C(F)(F)F
InChIInChI=1S/C8H10F3NS/c1-2-12-7(8(9,10)11)6-4-3-5-13-6/h3-5,7,12H,2H2,1H3
InChIKeyBBBKDQXAJBGPRQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.96
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine

N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine (PubChem CID 43490534) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine
PubChem CID43490534
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC NameN-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine
SMILESCCNC(c1cccs1)C(F)(F)F
InChIInChI=1S/C8H10F3NS/c1-2-12-7(8(9,10)11)6-4-3-5-13-6/h3-5,7,12H,2H2,1H3
InChIKeyBBBKDQXAJBGPRQ-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine (CID 43490534) is N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine is CCNC(c1cccs1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine?
The InChIKey is BBBKDQXAJBGPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-2-12-7(8(9,10)11)6-4-3-5-13-6/h3-5,7,12H,2H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine?
N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine has a molecular weight of 209.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43490534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).