(3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one

C6H8FNO — CID 55298723

IUPAC(3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one
SMILESC/C(CF)=C1\CNC1=O
InChIInChI=1S/C6H8FNO/c1-4(2-7)5-3-8-6(5)9/h2-3H2,1H3,(H,8,9)/b5-4-
InChIKeyPQJDMVRSGOTDPV-PLNGDYQASA-N
MW129.13 g/mol
LogP0.40
Rot. Bonds1

About (3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one

(3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one (PubChem CID 55298723) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is (3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one.

Molecular Properties

Compound Name(3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one
PubChem CID55298723
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name(3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one
SMILESC/C(CF)=C1\CNC1=O
InChIInChI=1S/C6H8FNO/c1-4(2-7)5-3-8-6(5)9/h2-3H2,1H3,(H,8,9)/b5-4-
InChIKeyPQJDMVRSGOTDPV-PLNGDYQASA-N
XLogP0.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 50.40
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 (3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one?
The IUPAC name of (3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one (CID 55298723) is (3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one.
What is the SMILES notation for (3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one?
The canonical SMILES for (3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one is C/C(CF)=C1\CNC1=O.
What is the InChIKey of (3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one?
The InChIKey is PQJDMVRSGOTDPV-PLNGDYQASA-N. The full InChI is InChI=1S/C6H8FNO/c1-4(2-7)5-3-8-6(5)9/h2-3H2,1H3,(H,8,9)/b5-4-.
What are the key properties of (3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one?
(3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one has a molecular weight of 129.13 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one is sourced from PubChem (CID 55298723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).