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

C10H12F3NS — CID 114749202

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1csc2c1CCC2
InChIInChI=1S/C10H12F3NS/c11-10(12,13)6-14-4-7-5-15-9-3-1-2-8(7)9/h5,14H,1-4,6H2
InChIKeyONIXMGRZVPPBNR-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.89
Rot. Bonds3

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

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine (PubChem CID 114749202) has the molecular formula C10H12F3NS and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine
PubChem CID114749202
Molecular FormulaC10H12F3NS
Molecular Weight235.27 g/mol
Exact Mass235.06
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1csc2c1CCC2
InChIInChI=1S/C10H12F3NS/c11-10(12,13)6-14-4-7-5-15-9-3-1-2-8(7)9/h5,14H,1-4,6H2
InChIKeyONIXMGRZVPPBNR-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

(5R)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine;hydrochloride
CID 176347667
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine;hydrochloride
CID 176347813
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
CID 176347814
3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
CID 177018373
(5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
CID 177018593
2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 54904031
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroethanamine
CID 60998228
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroethanamine
CID 61206863
N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 61553400
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine
CID 63050887
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 64554412
N-ethyl-3,3,3-trifluoro-1-(5-methylthiophen-3-yl)propan-1-amine
CID 65104734

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine (CID 114749202) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1csc2c1CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine?
The InChIKey is ONIXMGRZVPPBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NS/c11-10(12,13)6-14-4-7-5-15-9-3-1-2-8(7)9/h5,14H,1-4,6H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine has a molecular weight of 235.27 g/mol, XLogP of 2.89, 3 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-3-ylmethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114749202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).