CAS
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1-[3-(Difluoromethoxy)benzoyl]piperazine
Catalog Number
ACMA00000652
Category
Alkyl
Molecular Weight
256.25
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Specification
Hazard Statements
H315-H319-H335
RIDADR
UN 1941 9 / PGIII
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula is C12H14F2N2O2.
What is the molecular weight of the compound?
The molecular weight is 256.25 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [3-(difluoromethoxy)phenyl]-piperazin-1-ylmethanone.
What is the InChI of the compound?
The InChI is InChI=1S/C12H14F2N2O2/c13-12(14)18-10-3-1-2-9(8-10)11(17)16-6-4-15-5-7-16/h1-3,8,12,15H,4-7H2.
What is the InChIKey of the compound?
The InChIKey is MPPUIWBILXEFCS-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1CN(CCN1)C(=O)C2=CC(=CC=C2)OC(F)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.6.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 5 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 3 rotatable bond count.
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