(3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one

C7H10FNO — CID 10510962

IUPAC(3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one
SMILESO=C(/C=C1/CCCN1)CF
InChIInChI=1S/C7H10FNO/c8-5-7(10)4-6-2-1-3-9-6/h4,9H,1-3,5H2/b6-4-
InChIKeyWTUVUIYRQXWAIH-XQRVVYSFSA-N
MW143.16 g/mol
LogP0.79
Rot. Bonds2

About (3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one

(3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one (PubChem CID 10510962) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is (3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one.

Molecular Properties

Compound Name(3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one
PubChem CID10510962
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name(3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one
SMILESO=C(/C=C1/CCCN1)CF
InChIInChI=1S/C7H10FNO/c8-5-7(10)4-6-2-1-3-9-6/h4,9H,1-3,5H2/b6-4-
InChIKeyWTUVUIYRQXWAIH-XQRVVYSFSA-N
XLogP0.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one?
The IUPAC name of (3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one (CID 10510962) is (3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one.
What is the SMILES notation for (3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one?
The canonical SMILES for (3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one is O=C(/C=C1/CCCN1)CF.
What is the InChIKey of (3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one?
The InChIKey is WTUVUIYRQXWAIH-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H10FNO/c8-5-7(10)4-6-2-1-3-9-6/h4,9H,1-3,5H2/b6-4-.
What are the key properties of (3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one?
(3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one has a molecular weight of 143.16 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one is sourced from PubChem (CID 10510962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).