(2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one

C10H18F2N2O — CID 129349183

IUPAC(2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one
SMILESC[C@H](C(=O)N1CCN(C)CC1)C(C)(F)F
InChIInChI=1S/C10H18F2N2O/c1-8(10(2,11)12)9(15)14-6-4-13(3)5-7-14/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyLKXUGSGFHIRHNX-MRVPVSSYSA-N
MW220.26 g/mol
LogP1.05
Rot. Bonds2

About (2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one

(2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one (PubChem CID 129349183) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is (2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one
PubChem CID129349183
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name(2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one
SMILESC[C@H](C(=O)N1CCN(C)CC1)C(C)(F)F
InChIInChI=1S/C10H18F2N2O/c1-8(10(2,11)12)9(15)14-6-4-13(3)5-7-14/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyLKXUGSGFHIRHNX-MRVPVSSYSA-N
XLogP1.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one?
The IUPAC name of (2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one (CID 129349183) is (2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one?
The canonical SMILES for (2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one is C[C@H](C(=O)N1CCN(C)CC1)C(C)(F)F.
What is the InChIKey of (2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one?
The InChIKey is LKXUGSGFHIRHNX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-8(10(2,11)12)9(15)14-6-4-13(3)5-7-14/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one?
(2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one has a molecular weight of 220.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 129349183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).