3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine

C8H8F3NS — CID 177018373

IUPAC3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
SMILESNC1Cc2scc(C(F)(F)F)c2C1
InChIInChI=1S/C8H8F3NS/c9-8(10,11)6-3-13-7-2-4(12)1-5(6)7/h3-4H,1-2,12H2
InChIKeyUGWGZSAATVFTFD-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.19
Rot. Bonds

About 3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine

3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine (PubChem CID 177018373) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
PubChem CID177018373
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
SMILESNC1Cc2scc(C(F)(F)F)c2C1
InChIInChI=1S/C8H8F3NS/c9-8(10,11)6-3-13-7-2-4(12)1-5(6)7/h3-4H,1-2,12H2
InChIKeyUGWGZSAATVFTFD-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine?
The IUPAC name of 3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine (CID 177018373) is 3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine.
What is the SMILES notation for 3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine?
The canonical SMILES for 3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine is NC1Cc2scc(C(F)(F)F)c2C1.
What is the InChIKey of 3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine?
The InChIKey is UGWGZSAATVFTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c9-8(10,11)6-3-13-7-2-4(12)1-5(6)7/h3-4H,1-2,12H2.
What are the key properties of 3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine?
3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine has a molecular weight of 207.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine is sourced from PubChem (CID 177018373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).