4-ethyl-2-fluorohex-1-en-3-one

C8H13FO — CID 155236752

IUPAC4-ethyl-2-fluorohex-1-en-3-one
SMILESC=C(F)C(=O)C(CC)CC
InChIInChI=1S/C8H13FO/c1-4-7(5-2)8(10)6(3)9/h7H,3-5H2,1-2H3
InChIKeyDRUYWMAYNBELLR-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.47
Rot. Bonds4

About 4-ethyl-2-fluorohex-1-en-3-one

4-ethyl-2-fluorohex-1-en-3-one (PubChem CID 155236752) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 4-ethyl-2-fluorohex-1-en-3-one.

Molecular Properties

Compound Name4-ethyl-2-fluorohex-1-en-3-one
PubChem CID155236752
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name4-ethyl-2-fluorohex-1-en-3-one
SMILESC=C(F)C(=O)C(CC)CC
InChIInChI=1S/C8H13FO/c1-4-7(5-2)8(10)6(3)9/h7H,3-5H2,1-2H3
InChIKeyDRUYWMAYNBELLR-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluorohex-1-en-3-one?
The IUPAC name of 4-ethyl-2-fluorohex-1-en-3-one (CID 155236752) is 4-ethyl-2-fluorohex-1-en-3-one.
What is the SMILES notation for 4-ethyl-2-fluorohex-1-en-3-one?
The canonical SMILES for 4-ethyl-2-fluorohex-1-en-3-one is C=C(F)C(=O)C(CC)CC.
What is the InChIKey of 4-ethyl-2-fluorohex-1-en-3-one?
The InChIKey is DRUYWMAYNBELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-4-7(5-2)8(10)6(3)9/h7H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-2-fluorohex-1-en-3-one?
4-ethyl-2-fluorohex-1-en-3-one has a molecular weight of 144.19 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-fluorohex-1-en-3-one is sourced from PubChem (CID 155236752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).