(3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane

C13H24F2N2O — CID 177202739

IUPAC(3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane
SMILESCC.CC1CN(C)CCN1C(=O)C1CC(F)(F)C1
InChIInChI=1S/C11H18F2N2O.C2H6/c1-8-7-14(2)3-4-15(8)10(16)9-5-11(12,13)6-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyTUFQHXBRLQKTFE-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.22
Rot. Bonds1

About (3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane

(3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane (PubChem CID 177202739) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane
PubChem CID177202739
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name(3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane
SMILESCC.CC1CN(C)CCN1C(=O)C1CC(F)(F)C1
InChIInChI=1S/C11H18F2N2O.C2H6/c1-8-7-14(2)3-4-15(8)10(16)9-5-11(12,13)6-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyTUFQHXBRLQKTFE-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane?
The IUPAC name of (3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane (CID 177202739) is (3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane?
The canonical SMILES for (3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane is CC.CC1CN(C)CCN1C(=O)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane?
The InChIKey is TUFQHXBRLQKTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O.C2H6/c1-8-7-14(2)3-4-15(8)10(16)9-5-11(12,13)6-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of (3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane?
(3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane has a molecular weight of 262.34 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(2,4-dimethylpiperazin-1-yl)methanone;ethane is sourced from PubChem (CID 177202739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).