3-fluoro-5-methoxy-3-methylpentan-2-one

C7H13FO2 — CID 157210996

IUPAC3-fluoro-5-methoxy-3-methylpentan-2-one
SMILESCOCCC(C)(F)C(C)=O
InChIInChI=1S/C7H13FO2/c1-6(9)7(2,8)4-5-10-3/h4-5H2,1-3H3
InChIKeyXUAFPVCJFOGHQV-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.34
Rot. Bonds4

About 3-fluoro-5-methoxy-3-methylpentan-2-one

3-fluoro-5-methoxy-3-methylpentan-2-one (PubChem CID 157210996) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-3-methylpentan-2-one.

Molecular Properties

Compound Name3-fluoro-5-methoxy-3-methylpentan-2-one
PubChem CID157210996
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name3-fluoro-5-methoxy-3-methylpentan-2-one
SMILESCOCCC(C)(F)C(C)=O
InChIInChI=1S/C7H13FO2/c1-6(9)7(2,8)4-5-10-3/h4-5H2,1-3H3
InChIKeyXUAFPVCJFOGHQV-UHFFFAOYSA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-3-methylpentan-2-one?
The IUPAC name of 3-fluoro-5-methoxy-3-methylpentan-2-one (CID 157210996) is 3-fluoro-5-methoxy-3-methylpentan-2-one.
What is the SMILES notation for 3-fluoro-5-methoxy-3-methylpentan-2-one?
The canonical SMILES for 3-fluoro-5-methoxy-3-methylpentan-2-one is COCCC(C)(F)C(C)=O.
What is the InChIKey of 3-fluoro-5-methoxy-3-methylpentan-2-one?
The InChIKey is XUAFPVCJFOGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-6(9)7(2,8)4-5-10-3/h4-5H2,1-3H3.
What are the key properties of 3-fluoro-5-methoxy-3-methylpentan-2-one?
3-fluoro-5-methoxy-3-methylpentan-2-one has a molecular weight of 148.18 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-3-methylpentan-2-one is sourced from PubChem (CID 157210996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).