N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine

C10H13F2NS — CID 114749130

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCc1csc2c1CCC2
InChIInChI=1S/C10H13F2NS/c11-10(12)5-13-4-7-6-14-9-3-1-2-8(7)9/h6,10,13H,1-5H2
InChIKeyYSWBCQWEOGKXNH-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.59
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine (PubChem CID 114749130) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine
PubChem CID114749130
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCc1csc2c1CCC2
InChIInChI=1S/C10H13F2NS/c11-10(12)5-13-4-7-6-14-9-3-1-2-8(7)9/h6,10,13H,1-5H2
InChIKeyYSWBCQWEOGKXNH-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(Trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene
CID 59789446
N-methyl-2-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-amine
CID 132196132
(5R)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine;hydrochloride
CID 176347667
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine;hydrochloride
CID 176347813
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
CID 176347814
3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
CID 177018373
(5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
CID 177018593
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-ethyl-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 61602281
3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine
CID 63225903
N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226524

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine (CID 114749130) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine is FC(F)CNCc1csc2c1CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine?
The InChIKey is YSWBCQWEOGKXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c11-10(12)5-13-4-7-6-14-9-3-1-2-8(7)9/h6,10,13H,1-5H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine has a molecular weight of 217.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 114749130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).