3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one

C11H11F2NOS — CID 22153102

IUPAC3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one
SMILESCC1CC(N)=C(c2sccc2C(F)F)C1=O
InChIInChI=1S/C11H11F2NOS/c1-5-4-7(14)8(9(5)15)10-6(11(12)13)2-3-16-10/h2-3,5,11H,4,14H2,1H3
InChIKeyORRNEZGQMGRDJK-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.96
Rot. Bonds2

About 3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one

3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one (PubChem CID 22153102) has the molecular formula C11H11F2NOS and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one
PubChem CID22153102
Molecular FormulaC11H11F2NOS
Molecular Weight243.28 g/mol
Exact Mass243.05
IUPAC Name3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one
SMILESCC1CC(N)=C(c2sccc2C(F)F)C1=O
InChIInChI=1S/C11H11F2NOS/c1-5-4-7(14)8(9(5)15)10-6(11(12)13)2-3-16-10/h2-3,5,11H,4,14H2,1H3
InChIKeyORRNEZGQMGRDJK-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one?
The IUPAC name of 3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one (CID 22153102) is 3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one is CC1CC(N)=C(c2sccc2C(F)F)C1=O.
What is the InChIKey of 3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one?
The InChIKey is ORRNEZGQMGRDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NOS/c1-5-4-7(14)8(9(5)15)10-6(11(12)13)2-3-16-10/h2-3,5,11H,4,14H2,1H3.
What are the key properties of 3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one?
3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one has a molecular weight of 243.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one is sourced from PubChem (CID 22153102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).