N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine

C11H14F3NS — CID 64554412

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1cc2c(s1)CCC2
InChIInChI=1S/C11H14F3NS/c12-11(13,14)4-5-15-7-9-6-8-2-1-3-10(8)16-9/h6,15H,1-5,7H2
InChIKeyNZEJECRCLBLDQI-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.28
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 64554412) has the molecular formula C11H14F3NS and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID64554412
Molecular FormulaC11H14F3NS
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1cc2c(s1)CCC2
InChIInChI=1S/C11H14F3NS/c12-11(13,14)4-5-15-7-9-6-8-2-1-3-10(8)16-9/h6,15H,1-5,7H2
InChIKeyNZEJECRCLBLDQI-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine (CID 64554412) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is NZEJECRCLBLDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NS/c12-11(13,14)4-5-15-7-9-6-8-2-1-3-10(8)16-9/h6,15H,1-5,7H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 249.30 g/mol, XLogP of 3.28, 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)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 64554412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).