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

C9H10ClF2NS — CID 115405857

IUPAC2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C9H10ClF2NS/c10-8-3-5-6(13-4-9(11)12)1-2-7(5)14-8/h3,6,9,13H,1-2,4H2
InChIKeyDWGMQDMVULAREA-UHFFFAOYSA-N
MW237.70 g/mol
LogP3.24
Rot. Bonds3

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

2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 115405857) has the molecular formula C9H10ClF2NS and a molecular weight of 237.70 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID115405857
Molecular FormulaC9H10ClF2NS
Molecular Weight237.70 g/mol
Exact Mass237.02
IUPAC Name2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C9H10ClF2NS/c10-8-3-5-6(13-4-9(11)12)1-2-7(5)14-8/h3,6,9,13H,1-2,4H2
InChIKeyDWGMQDMVULAREA-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 115405857) is 2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is FC(F)CNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is DWGMQDMVULAREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NS/c10-8-3-5-6(13-4-9(11)12)1-2-7(5)14-8/h3,6,9,13H,1-2,4H2.
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(2,2-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 237.70 g/mol, XLogP of 3.24, 3 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-difluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 115405857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).