2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C11H13ClF3NS — CID 113326935

IUPAC2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)(F)CCCNC1CCc2sc(Cl)cc21
InChIInChI=1S/C11H13ClF3NS/c12-10-6-7-8(2-3-9(7)17-10)16-5-1-4-11(13,14)15/h6,8,16H,1-5H2
InChIKeyOUYFQEXAXDASEJ-UHFFFAOYSA-N
MW283.75 g/mol
LogP4.32
Rot. Bonds4

About 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 113326935) has the molecular formula C11H13ClF3NS and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID113326935
Molecular FormulaC11H13ClF3NS
Molecular Weight283.75 g/mol
Exact Mass283.04
IUPAC Name2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)(F)CCCNC1CCc2sc(Cl)cc21
InChIInChI=1S/C11H13ClF3NS/c12-10-6-7-8(2-3-9(7)17-10)16-5-1-4-11(13,14)15/h6,8,16H,1-5H2
InChIKeyOUYFQEXAXDASEJ-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine with MolForge

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Related Compounds

2-chloro-4H,5H,6H-cyclopenta(b)thiophen-4-amine
CID 81252876
2-chloro-4H,5H,6H-cyclopenta[b]thiophen-4-amine hydrochloride
CID 165653259
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623619
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623621
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683188
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43180860
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,4-difluorophenyl)ethanamine
CID 43231615
N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43231616
N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43231617
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43329344

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 113326935) is 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is FC(F)(F)CCCNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is OUYFQEXAXDASEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NS/c12-10-6-7-8(2-3-9(7)17-10)16-5-1-4-11(13,14)15/h6,8,16H,1-5H2.
What are the key properties of 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 283.75 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 113326935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).