(4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone

C11H16F2N2O — CID 58902706

IUPAC(4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)C2CC(F)(F)CN2)CC1
InChIInChI=1S/C11H16F2N2O/c1-8-2-4-15(5-3-8)10(16)9-6-11(12,13)7-14-9/h9,14H,1-7H2
InChIKeyGURSZYCYPPDDFW-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.16
Rot. Bonds1

About (4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone

(4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone (PubChem CID 58902706) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone
PubChem CID58902706
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)C2CC(F)(F)CN2)CC1
InChIInChI=1S/C11H16F2N2O/c1-8-2-4-15(5-3-8)10(16)9-6-11(12,13)7-14-9/h9,14H,1-7H2
InChIKeyGURSZYCYPPDDFW-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
The IUPAC name of (4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone (CID 58902706) is (4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone.
What is the SMILES notation for (4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
The canonical SMILES for (4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone is C=C1CCN(C(=O)C2CC(F)(F)CN2)CC1.
What is the InChIKey of (4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
The InChIKey is GURSZYCYPPDDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-8-2-4-15(5-3-8)10(16)9-6-11(12,13)7-14-9/h9,14H,1-7H2.
What are the key properties of (4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
(4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone has a molecular weight of 230.26 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone is sourced from PubChem (CID 58902706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).