(3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone

C12H20F2N2O — CID 146411203

IUPAC(3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone
SMILESCC(C)C1(C(=O)N2CCNCC2)CC(F)(F)C1
InChIInChI=1S/C12H20F2N2O/c1-9(2)11(7-12(13,14)8-11)10(17)16-5-3-15-4-6-16/h9,15H,3-8H2,1-2H3
InChIKeyMSZVJJZLYPTUSH-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.49
Rot. Bonds2

About (3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone

(3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone (PubChem CID 146411203) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is (3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone
PubChem CID146411203
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone
SMILESCC(C)C1(C(=O)N2CCNCC2)CC(F)(F)C1
InChIInChI=1S/C12H20F2N2O/c1-9(2)11(7-12(13,14)8-11)10(17)16-5-3-15-4-6-16/h9,15H,3-8H2,1-2H3
InChIKeyMSZVJJZLYPTUSH-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone?
The IUPAC name of (3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone (CID 146411203) is (3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone is CC(C)C1(C(=O)N2CCNCC2)CC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone?
The InChIKey is MSZVJJZLYPTUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-9(2)11(7-12(13,14)8-11)10(17)16-5-3-15-4-6-16/h9,15H,3-8H2,1-2H3.
What are the key properties of (3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone?
(3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone has a molecular weight of 246.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 146411203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).