5-fluoro-3-methylidenehexane-2,4-dione

C7H9FO2 — CID 90444889

IUPAC5-fluoro-3-methylidenehexane-2,4-dione
SMILESC=C(C(C)=O)C(=O)C(C)F
InChIInChI=1S/C7H9FO2/c1-4(6(3)9)7(10)5(2)8/h5H,1H2,2-3H3
InChIKeyNGNHCYKCIBSIFC-UHFFFAOYSA-N
MW144.14 g/mol
LogP1.06
Rot. Bonds3

About 5-fluoro-3-methylidenehexane-2,4-dione

5-fluoro-3-methylidenehexane-2,4-dione (PubChem CID 90444889) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is 5-fluoro-3-methylidenehexane-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-methylidenehexane-2,4-dione
PubChem CID90444889
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Name5-fluoro-3-methylidenehexane-2,4-dione
SMILESC=C(C(C)=O)C(=O)C(C)F
InChIInChI=1S/C7H9FO2/c1-4(6(3)9)7(10)5(2)8/h5H,1H2,2-3H3
InChIKeyNGNHCYKCIBSIFC-UHFFFAOYSA-N
XLogP1.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-Methylhex-5-ene-2,4-dione
CID 15683512
3-Propyl-3-buten-2-one
CID 12288567
2-Fluorohept-1-en-3-one
CID 12865320
Diacetylethylene
CID 13528360
2-(Trifluoromethyl)hex-1-en-3-one
CID 20802289
6,6,6-Trifluoro-3-methylidenehexan-2-one
CID 57529275
1,1,1-Trifluoro-5-methylhex-5-ene-2,4-dione
CID 88942526
1,1,1-Trifluoro-3-methylidenehexane-2,4-dione
CID 89519421
1,1,1-Trifluoro-3-methylideneheptane-2,4-dione
CID 89519424
2,2-Difluoro-4-methylideneheptane-3,5-dione
CID 90444886
2,2-Difluoro-4-methylideneoctane-3,5-dione
CID 90444888
5,5-Difluoro-3-methylidenehexane-2,4-dione
CID 90444895

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylidenehexane-2,4-dione?
The IUPAC name of 5-fluoro-3-methylidenehexane-2,4-dione (CID 90444889) is 5-fluoro-3-methylidenehexane-2,4-dione.
What is the SMILES notation for 5-fluoro-3-methylidenehexane-2,4-dione?
The canonical SMILES for 5-fluoro-3-methylidenehexane-2,4-dione is C=C(C(C)=O)C(=O)C(C)F.
What is the InChIKey of 5-fluoro-3-methylidenehexane-2,4-dione?
The InChIKey is NGNHCYKCIBSIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c1-4(6(3)9)7(10)5(2)8/h5H,1H2,2-3H3.
What are the key properties of 5-fluoro-3-methylidenehexane-2,4-dione?
5-fluoro-3-methylidenehexane-2,4-dione has a molecular weight of 144.14 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylidenehexane-2,4-dione is sourced from PubChem (CID 90444889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).