2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine

C8H12FNS — CID 131222871

IUPAC2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCN(CCF)Cc1cccs1
InChIInChI=1S/C8H12FNS/c1-10(5-4-9)7-8-3-2-6-11-8/h2-3,6H,4-5,7H2,1H3
InChIKeyDEQREIUUSAWQPT-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.15
Rot. Bonds4

About 2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine

2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 131222871) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID131222871
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCN(CCF)Cc1cccs1
InChIInChI=1S/C8H12FNS/c1-10(5-4-9)7-8-3-2-6-11-8/h2-3,6H,4-5,7H2,1H3
InChIKeyDEQREIUUSAWQPT-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine (CID 131222871) is 2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine is CN(CCF)Cc1cccs1.
What is the InChIKey of 2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is DEQREIUUSAWQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNS/c1-10(5-4-9)7-8-3-2-6-11-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 173.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 131222871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).