N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

C12H16F3NS — CID 114749162

IUPACN-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCC1(C)CCc2scc(CNCC(F)(F)F)c21
InChIInChI=1S/C12H16F3NS/c1-11(2)4-3-9-10(11)8(6-17-9)5-16-7-12(13,14)15/h6,16H,3-5,7H2,1-2H3
InChIKeyHDOHHIRYXJMCKW-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.62
Rot. Bonds3

About N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 114749162) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID114749162
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC NameN-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCC1(C)CCc2scc(CNCC(F)(F)F)c21
InChIInChI=1S/C12H16F3NS/c1-11(2)4-3-9-10(11)8(6-17-9)5-16-7-12(13,14)15/h6,16H,3-5,7H2,1-2H3
InChIKeyHDOHHIRYXJMCKW-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

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-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 64554412
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine
CID 81106933
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine
CID 102869276
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104992605
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992703
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104992934
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023814
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023961
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024304
2,2-difluoro-N-[(4,6,6-trimethyl-4,5-dihydrocyclopenta[b]thiophen-3-yl)methyl]ethanamine
CID 106664695

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 114749162) is N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is CC1(C)CCc2scc(CNCC(F)(F)F)c21.
What is the InChIKey of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is HDOHHIRYXJMCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c1-11(2)4-3-9-10(11)8(6-17-9)5-16-7-12(13,14)15/h6,16H,3-5,7H2,1-2H3.
What are the key properties of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 263.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114749162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).