4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one

C10H16F2N2O — CID 158051123

IUPAC4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
SMILESC=C1C(=O)N(C(C)C)CCN1CC(F)F
InChIInChI=1S/C10H16F2N2O/c1-7(2)14-5-4-13(6-9(11)12)8(3)10(14)15/h7,9H,3-6H2,1-2H3
InChIKeySFSGXHZVRLVZBQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.32
Rot. Bonds3

About 4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one

4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one (PubChem CID 158051123) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
PubChem CID158051123
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
SMILESC=C1C(=O)N(C(C)C)CCN1CC(F)F
InChIInChI=1S/C10H16F2N2O/c1-7(2)14-5-4-13(6-9(11)12)8(3)10(14)15/h7,9H,3-6H2,1-2H3
InChIKeySFSGXHZVRLVZBQ-UHFFFAOYSA-N
XLogP1.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-Cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one
CID 123733654
4-Methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 123951722
1-[3-(Difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 135165331
1-[4-Propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one
CID 135175939
1-[3-(Difluoromethyl)-4-ethylpiperazin-1-yl]prop-2-en-1-one
CID 142482340
2-Fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 156531541
1-[4-Propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one
CID 156531715
1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one
CID 156531716
2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one
CID 156531725
2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one
CID 156531726
1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one
CID 156531728
1-[2-(Difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 158493147

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one (CID 158051123) is 4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one is C=C1C(=O)N(C(C)C)CCN1CC(F)F.
What is the InChIKey of 4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The InChIKey is SFSGXHZVRLVZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-7(2)14-5-4-13(6-9(11)12)8(3)10(14)15/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one has a molecular weight of 218.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 158051123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).