2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C10H10ClF4NS — CID 114169030

IUPAC2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)C(F)(F)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C10H10ClF4NS/c11-8-3-5-6(1-2-7(5)17-8)16-4-10(14,15)9(12)13/h3,6,9,16H,1-2,4H2
InChIKeyRNJDJADJAGDDKP-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.88
Rot. Bonds4

About 2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 114169030) has the molecular formula C10H10ClF4NS and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID114169030
Molecular FormulaC10H10ClF4NS
Molecular Weight287.71 g/mol
Exact Mass287.02
IUPAC Name2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)C(F)(F)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C10H10ClF4NS/c11-8-3-5-6(1-2-7(5)17-8)16-4-10(14,15)9(12)13/h3,6,9,16H,1-2,4H2
InChIKeyRNJDJADJAGDDKP-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
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-[(5-chlorothiophen-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43426840
1-(5-chlorothiophen-2-yl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43427110
1-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 43427111
1-(5-chlorothiophen-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43427112
1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43427117
1-(5-chlorothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 43432568
1-(5-chlorothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43432586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 114169030) is 2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is FC(F)C(F)(F)CNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is RNJDJADJAGDDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4NS/c11-8-3-5-6(1-2-7(5)17-8)16-4-10(14,15)9(12)13/h3,6,9,16H,1-2,4H2.
What are the key properties of 2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 287.71 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,3,3-tetrafluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 114169030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).