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

C10H14FNS — CID 80694034

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine
SMILESFCCNCc1cc2c(s1)CCC2
InChIInChI=1S/C10H14FNS/c11-4-5-12-7-9-6-8-2-1-3-10(8)13-9/h6,12H,1-5,7H2
InChIKeyHENTZBUZCPDQBN-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.30
Rot. Bonds4

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

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine (PubChem CID 80694034) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine
PubChem CID80694034
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine
SMILESFCCNCc1cc2c(s1)CCC2
InChIInChI=1S/C10H14FNS/c11-4-5-12-7-9-6-8-2-1-3-10(8)13-9/h6,12H,1-5,7H2
InChIKeyHENTZBUZCPDQBN-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.30
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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Related Compounds

CID 1817785
CID 1817785
CID 18377285
CID 18377285
CID 1817795
CID 1817795
CID 4721388
CID 4721388
CID 1817787
CID 1817787
CID 1817793
CID 1817793
CID 24688589
CID 24688589
CID 2060827
CID 2060827
CID 138987931
CID 138987931
CID 28646753
CID 28646753
CID 101129535
CID 101129535
CID 834259
CID 834259

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine (CID 80694034) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine is FCCNCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine?
The InChIKey is HENTZBUZCPDQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c11-4-5-12-7-9-6-8-2-1-3-10(8)13-9/h6,12H,1-5,7H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine has a molecular weight of 199.29 g/mol, XLogP of 2.30, 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-fluoroethanamine is sourced from PubChem (CID 80694034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).