N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C10H10F3NOS — CID 51073043

IUPACN-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc2c(s1)CCC2
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)5-14-9(15)8-4-6-2-1-3-7(6)16-8/h4H,1-3,5H2,(H,14,15)
InChIKeySMLCBNAGKAEZTI-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.53
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 51073043) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID51073043
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC NameN-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc2c(s1)CCC2
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)5-14-9(15)8-4-6-2-1-3-7(6)16-8/h4H,1-3,5H2,(H,14,15)
InChIKeySMLCBNAGKAEZTI-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 697434
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320
N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44563197
3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide
CID 59054325
Thiophene-2-carboxylic acid (2-cyclopentyl-ethyl)-amide
CID 774817

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 51073043) is N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(NCC(F)(F)F)c1cc2c(s1)CCC2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is SMLCBNAGKAEZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)5-14-9(15)8-4-6-2-1-3-7(6)16-8/h4H,1-3,5H2,(H,14,15).
What are the key properties of N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 249.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 51073043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).