3-ethyl-5-fluoropentan-2-one

C7H13FO — CID 80696730

IUPAC3-ethyl-5-fluoropentan-2-one
SMILESCCC(CCF)C(C)=O
InChIInChI=1S/C7H13FO/c1-3-7(4-5-8)6(2)9/h7H,3-5H2,1-2H3
InChIKeyKJAJRQUIJAJAAS-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.96
Rot. Bonds4

About 3-ethyl-5-fluoropentan-2-one

3-ethyl-5-fluoropentan-2-one (PubChem CID 80696730) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-ethyl-5-fluoropentan-2-one.

Molecular Properties

Compound Name3-ethyl-5-fluoropentan-2-one
PubChem CID80696730
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name3-ethyl-5-fluoropentan-2-one
SMILESCCC(CCF)C(C)=O
InChIInChI=1S/C7H13FO/c1-3-7(4-5-8)6(2)9/h7H,3-5H2,1-2H3
InChIKeyKJAJRQUIJAJAAS-UHFFFAOYSA-N
XLogP1.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoropentan-2-one?
The IUPAC name of 3-ethyl-5-fluoropentan-2-one (CID 80696730) is 3-ethyl-5-fluoropentan-2-one.
What is the SMILES notation for 3-ethyl-5-fluoropentan-2-one?
The canonical SMILES for 3-ethyl-5-fluoropentan-2-one is CCC(CCF)C(C)=O.
What is the InChIKey of 3-ethyl-5-fluoropentan-2-one?
The InChIKey is KJAJRQUIJAJAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-3-7(4-5-8)6(2)9/h7H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-5-fluoropentan-2-one?
3-ethyl-5-fluoropentan-2-one has a molecular weight of 132.18 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoropentan-2-one is sourced from PubChem (CID 80696730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).