1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine

C12H16F3NS — CID 104992605

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1cc2c(s1)CCC2
InChIInChI=1S/C12H16F3NS/c1-16-9(5-6-12(13,14)15)11-7-8-3-2-4-10(8)17-11/h7,9,16H,2-6H2,1H3
InChIKeyRMADHFRBFWDGGO-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.84
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine (PubChem CID 104992605) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
PubChem CID104992605
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1cc2c(s1)CCC2
InChIInChI=1S/C12H16F3NS/c1-16-9(5-6-12(13,14)15)11-7-8-3-2-4-10(8)17-11/h7,9,16H,2-6H2,1H3
InChIKeyRMADHFRBFWDGGO-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine (CID 104992605) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine is CNC(CCC(F)(F)F)c1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The InChIKey is RMADHFRBFWDGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c1-16-9(5-6-12(13,14)15)11-7-8-3-2-4-10(8)17-11/h7,9,16H,2-6H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine has a molecular weight of 263.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine is sourced from PubChem (CID 104992605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).