2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine

C11H15F2NS — CID 114749103

IUPAC2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine
SMILESCC1CCc2scc(CNCC(F)F)c21
InChIInChI=1S/C11H15F2NS/c1-7-2-3-9-11(7)8(6-15-9)4-14-5-10(12)13/h6-7,10,14H,2-5H2,1H3
InChIKeyNONDXWFQMZAXNA-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.15
Rot. Bonds4

About 2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine

2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine (PubChem CID 114749103) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is 2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine
PubChem CID114749103
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine
SMILESCC1CCc2scc(CNCC(F)F)c21
InChIInChI=1S/C11H15F2NS/c1-7-2-3-9-11(7)8(6-15-9)4-14-5-10(12)13/h6-7,10,14H,2-5H2,1H3
InChIKeyNONDXWFQMZAXNA-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine (CID 114749103) is 2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine is CC1CCc2scc(CNCC(F)F)c21.
What is the InChIKey of 2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine?
The InChIKey is NONDXWFQMZAXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-7-2-3-9-11(7)8(6-15-9)4-14-5-10(12)13/h6-7,10,14H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine?
2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine has a molecular weight of 231.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114749103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).