(Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one

C11H15F2NO — CID 166912471

IUPAC(Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one
SMILESC=C(/C=C\C)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2NO/c1-3-4-9(2)10(15)14-7-5-11(12,13)6-8-14/h3-4H,2,5-8H2,1H3/b4-3-
InChIKeyBKSCOYPMLNSVBX-ARJAWSKDSA-N
MW215.24 g/mol
LogP2.38
Rot. Bonds2

About (Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one

(Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one (PubChem CID 166912471) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one
PubChem CID166912471
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one
SMILESC=C(/C=C\C)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2NO/c1-3-4-9(2)10(15)14-7-5-11(12,13)6-8-14/h3-4H,2,5-8H2,1H3/b4-3-
InChIKeyBKSCOYPMLNSVBX-ARJAWSKDSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one?
The IUPAC name of (Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one (CID 166912471) is (Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one.
What is the SMILES notation for (Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one?
The canonical SMILES for (Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one is C=C(/C=C\C)C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of (Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one?
The InChIKey is BKSCOYPMLNSVBX-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-4-9(2)10(15)14-7-5-11(12,13)6-8-14/h3-4H,2,5-8H2,1H3/b4-3-.
What are the key properties of (Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one?
(Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one has a molecular weight of 215.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4,4-difluoropiperidin-1-yl)-2-methylidenepent-3-en-1-one is sourced from PubChem (CID 166912471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).