N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine

C10H13F2NS — CID 61206863

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCc1cc2c(s1)CCC2
InChIInChI=1S/C10H13F2NS/c11-10(12)6-13-5-8-4-7-2-1-3-9(7)14-8/h4,10,13H,1-3,5-6H2
InChIKeyAYQBBZLJNJJNCK-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.59
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine (PubChem CID 61206863) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine
PubChem CID61206863
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCc1cc2c(s1)CCC2
InChIInChI=1S/C10H13F2NS/c11-10(12)6-13-5-8-4-7-2-1-3-9(7)14-8/h4,10,13H,1-3,5-6H2
InChIKeyAYQBBZLJNJJNCK-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine (CID 61206863) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine is FC(F)CNCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine?
The InChIKey is AYQBBZLJNJJNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c11-10(12)6-13-5-8-4-7-2-1-3-9(7)14-8/h4,10,13H,1-3,5-6H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine has a molecular weight of 217.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 61206863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).