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

C12H17F2NS — CID 114749087

IUPACN-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine
SMILESCC1(C)CCc2scc(CNCC(F)F)c21
InChIInChI=1S/C12H17F2NS/c1-12(2)4-3-9-11(12)8(7-16-9)5-15-6-10(13)14/h7,10,15H,3-6H2,1-2H3
InChIKeyHLUGZDPZCOJPDI-UHFFFAOYSA-N
MW245.34 g/mol
LogP3.33
Rot. Bonds4

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

N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine (PubChem CID 114749087) has the molecular formula C12H17F2NS and a molecular weight of 245.34 g/mol. Its IUPAC name is N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine
PubChem CID114749087
Molecular FormulaC12H17F2NS
Molecular Weight245.34 g/mol
Exact Mass245.10
IUPAC NameN-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine
SMILESCC1(C)CCc2scc(CNCC(F)F)c21
InChIInChI=1S/C12H17F2NS/c1-12(2)4-3-9-11(12)8(7-16-9)5-15-6-10(13)14/h7,10,15H,3-6H2,1-2H3
InChIKeyHLUGZDPZCOJPDI-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

(9R)-3,3-dimethyl-9-(trifluoromethyl)-7-thia-11-azatricyclo[6.5.0.02,6]trideca-1(8),2(6)-diene
CID 91255635
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
CID 176347814
(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-(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)-2-fluoroethanamine
CID 80694034
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

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine (CID 114749087) is N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine is CC1(C)CCc2scc(CNCC(F)F)c21.
What is the InChIKey of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is HLUGZDPZCOJPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NS/c1-12(2)4-3-9-11(12)8(7-16-9)5-15-6-10(13)14/h7,10,15H,3-6H2,1-2H3.
What are the key properties of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine?
N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 245.34 g/mol, XLogP of 3.33, 4 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-difluoroethanamine is sourced from PubChem (CID 114749087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).