(3E)-3-(fluoromethylidene)piperidin-2-one

C6H8FNO — CID 144731040

IUPAC(3E)-3-(fluoromethylidene)piperidin-2-one
SMILESO=C1NCCC/C1=C\F
InChIInChI=1S/C6H8FNO/c7-4-5-2-1-3-8-6(5)9/h4H,1-3H2,(H,8,9)/b5-4+
InChIKeyXUDTXBLBRYJOMD-SNAWJCMRSA-N
MW129.13 g/mol
LogP0.75
Rot. Bonds

About (3E)-3-(fluoromethylidene)piperidin-2-one

(3E)-3-(fluoromethylidene)piperidin-2-one (PubChem CID 144731040) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)piperidin-2-one.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)piperidin-2-one
PubChem CID144731040
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name(3E)-3-(fluoromethylidene)piperidin-2-one
SMILESO=C1NCCC/C1=C\F
InChIInChI=1S/C6H8FNO/c7-4-5-2-1-3-8-6(5)9/h4H,1-3H2,(H,8,9)/b5-4+
InChIKeyXUDTXBLBRYJOMD-SNAWJCMRSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)piperidin-2-one?
The IUPAC name of (3E)-3-(fluoromethylidene)piperidin-2-one (CID 144731040) is (3E)-3-(fluoromethylidene)piperidin-2-one.
What is the SMILES notation for (3E)-3-(fluoromethylidene)piperidin-2-one?
The canonical SMILES for (3E)-3-(fluoromethylidene)piperidin-2-one is O=C1NCCC/C1=C\F.
What is the InChIKey of (3E)-3-(fluoromethylidene)piperidin-2-one?
The InChIKey is XUDTXBLBRYJOMD-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H8FNO/c7-4-5-2-1-3-8-6(5)9/h4H,1-3H2,(H,8,9)/b5-4+.
What are the key properties of (3E)-3-(fluoromethylidene)piperidin-2-one?
(3E)-3-(fluoromethylidene)piperidin-2-one has a molecular weight of 129.13 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)piperidin-2-one is sourced from PubChem (CID 144731040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).