1-fluorohex-1-en-3-one

C6H9FO — CID 174639775

IUPAC1-fluorohex-1-en-3-one
SMILESCCCC(=O)C=CF
InChIInChI=1S/C6H9FO/c1-2-3-6(8)4-5-7/h4-5H,2-3H2,1H3
InChIKeyYCIXFYARHKHCAU-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.84
Rot. Bonds3

About 1-fluorohex-1-en-3-one

1-fluorohex-1-en-3-one (PubChem CID 174639775) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 1-fluorohex-1-en-3-one.

Molecular Properties

Compound Name1-fluorohex-1-en-3-one
PubChem CID174639775
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name1-fluorohex-1-en-3-one
SMILESCCCC(=O)C=CF
InChIInChI=1S/C6H9FO/c1-2-3-6(8)4-5-7/h4-5H,2-3H2,1H3
InChIKeyYCIXFYARHKHCAU-UHFFFAOYSA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Penten-3-one
CID 15394
1-Hexen-3-one
CID 15395
1-Hepten-3-one
CID 520420
Hex-5-ene-2,4-dione
CID 182705
1,2-Heptadien-4-one
CID 20547173
2-Fluorohept-1-en-3-one
CID 12865320
Hepta-1,6-dien-3-one
CID 14271035
5-Methylhexa-1,5-dien-3-one
CID 15500341
Ethyl vinyl acetaldehyde ether
CID 19870931
2-Fluorohepta-1,6-dien-3-one
CID 12036165
3-Fluoro-5-hexen-2-one
CID 13551025
6,6,6-Trifluorohex-1-en-3-one
CID 71387447

Frequently Asked Questions

What is the IUPAC name of 1-fluorohex-1-en-3-one?
The IUPAC name of 1-fluorohex-1-en-3-one (CID 174639775) is 1-fluorohex-1-en-3-one.
What is the SMILES notation for 1-fluorohex-1-en-3-one?
The canonical SMILES for 1-fluorohex-1-en-3-one is CCCC(=O)C=CF.
What is the InChIKey of 1-fluorohex-1-en-3-one?
The InChIKey is YCIXFYARHKHCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-2-3-6(8)4-5-7/h4-5H,2-3H2,1H3.
What are the key properties of 1-fluorohex-1-en-3-one?
1-fluorohex-1-en-3-one has a molecular weight of 116.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohex-1-en-3-one is sourced from PubChem (CID 174639775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).