N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine

C11H15F2NS — CID 102869276

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine
SMILESCC(NCc1cc2c(s1)CCC2)C(F)F
InChIInChI=1S/C11H15F2NS/c1-7(11(12)13)14-6-9-5-8-3-2-4-10(8)15-9/h5,7,11,14H,2-4,6H2,1H3
InChIKeyBTWMDOLCDACKCN-UHFFFAOYSA-N
MW231.31 g/mol
LogP2.98
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine (PubChem CID 102869276) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine
PubChem CID102869276
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine
SMILESCC(NCc1cc2c(s1)CCC2)C(F)F
InChIInChI=1S/C11H15F2NS/c1-7(11(12)13)14-6-9-5-8-3-2-4-10(8)15-9/h5,7,11,14H,2-4,6H2,1H3
InChIKeyBTWMDOLCDACKCN-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine (CID 102869276) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine is CC(NCc1cc2c(s1)CCC2)C(F)F.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine?
The InChIKey is BTWMDOLCDACKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-7(11(12)13)14-6-9-5-8-3-2-4-10(8)15-9/h5,7,11,14H,2-4,6H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,1-difluoropropan-2-amine has a molecular weight of 231.31 g/mol, XLogP of 2.98, 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-2-ylmethyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 102869276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).