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

C14H20F3NS — CID 104992703

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cc2c(s1)CCC2
InChIInChI=1S/C14H20F3NS/c1-2-8-18-11(6-7-14(15,16)17)13-9-10-4-3-5-12(10)19-13/h9,11,18H,2-8H2,1H3
InChIKeyBBOPXSMYBNLPCO-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.62
Rot. Bonds6

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

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 104992703) has the molecular formula C14H20F3NS and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID104992703
Molecular FormulaC14H20F3NS
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cc2c(s1)CCC2
InChIInChI=1S/C14H20F3NS/c1-2-8-18-11(6-7-14(15,16)17)13-9-10-4-3-5-12(10)19-13/h9,11,18H,2-8H2,1H3
InChIKeyBBOPXSMYBNLPCO-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.62
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-propylbutan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (CID 104992703) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is CCCNC(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-propylbutan-1-amine?
The InChIKey is BBOPXSMYBNLPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NS/c1-2-8-18-11(6-7-14(15,16)17)13-9-10-4-3-5-12(10)19-13/h9,11,18H,2-8H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine has a molecular weight of 291.38 g/mol, XLogP of 4.62, 6 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-propylbutan-1-amine is sourced from PubChem (CID 104992703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).