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Structure

Cyclobutyl 2,4-difluorophenyl ketone

CAS
898791-26-9
Catalog Number
ACM898791269
Category
Other Products
Molecular Weight
196.19855
Molecular Formula
C11H10F2O

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Specification

Synonyms
CYCLOBUTYL 2,4-DIFLUOROPHENYL KETONE, 898791-26-9, CTK5G6784, AKOS009338453, AG-H-67083
IUPAC Name
cyclobutyl-(2,4-difluorophenyl)methanone
Canonical SMILES
C1CC(C1)C(=O)C2=C(C=C(C=C2)F)F
InChI Key
SFUBSOCKJIWUSM-UHFFFAOYSA-N
Exact Mass
196.07000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Cyclobutyl 2,4-difluorophenyl ketone?

The molecular formula is C11H10F2O.

When was Cyclobutyl 2,4-difluorophenyl ketone created in PubChem?

It was created on February 29, 2008.

What is the IUPAC name of Cyclobutyl 2,4-difluorophenyl ketone?

The IUPAC name is cyclobutyl-(2,4-difluorophenyl)methanone.

What is the Canonical SMILES representation of Cyclobutyl 2,4-difluorophenyl ketone?

The Canonical SMILES is C1CC(C1)C(=O)C2=C(C=C(C=C2)F)F.

What is the InChIKey of Cyclobutyl 2,4-difluorophenyl ketone?

The InChIKey is SFUBSOCKJIWUSM-UHFFFAOYSA-N.

What is the molecular weight of Cyclobutyl 2,4-difluorophenyl ketone?

The molecular weight is 196.19 g/mol.

How many hydrogen bond acceptors does Cyclobutyl 2,4-difluorophenyl ketone have?

It has 3 hydrogen bond acceptors.

What is the XLogP3-AA value of Cyclobutyl 2,4-difluorophenyl ketone?

The XLogP3-AA value is 2.8.

What is the topological polar surface area of Cyclobutyl 2,4-difluorophenyl ketone?

The topological polar surface area is 17.1 Å2.

Is Cyclobutyl 2,4-difluorophenyl ketone a canonicalized compound in PubChem?

Yes, it is a canonicalized compound in PubChem.

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