3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one

C11H15F2NO — CID 130993441

IUPAC3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one
SMILESCN(CC1CC(F)(F)C1)C1=CC(=O)CC1
InChIInChI=1S/C11H15F2NO/c1-14(9-2-3-10(15)4-9)7-8-5-11(12,13)6-8/h4,8H,2-3,5-7H2,1H3
InChIKeyKBPBKNJEWKKOIZ-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.21
Rot. Bonds3

About 3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one

3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one (PubChem CID 130993441) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one
PubChem CID130993441
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one
SMILESCN(CC1CC(F)(F)C1)C1=CC(=O)CC1
InChIInChI=1S/C11H15F2NO/c1-14(9-2-3-10(15)4-9)7-8-5-11(12,13)6-8/h4,8H,2-3,5-7H2,1H3
InChIKeyKBPBKNJEWKKOIZ-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one (CID 130993441) is 3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one is CN(CC1CC(F)(F)C1)C1=CC(=O)CC1.
What is the InChIKey of 3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one?
The InChIKey is KBPBKNJEWKKOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-14(9-2-3-10(15)4-9)7-8-5-11(12,13)6-8/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one?
3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one has a molecular weight of 215.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 130993441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).