4-fluoro-4-methylpentanoic acid

C6H11FO2 — CID 83815065

IUPAC4-fluoro-4-methylpentanoic acid
SMILESCC(C)(F)CCC(=O)O
InChIInChI=1S/C6H11FO2/c1-6(2,7)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyRKHCMZJEQQUZFV-UHFFFAOYSA-N
MW134.15 g/mol
LogP1.60
Rot. Bonds3

About 4-fluoro-4-methylpentanoic acid

4-fluoro-4-methylpentanoic acid (PubChem CID 83815065) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 4-fluoro-4-methylpentanoic acid.

Molecular Properties

Compound Name4-fluoro-4-methylpentanoic acid
PubChem CID83815065
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name4-fluoro-4-methylpentanoic acid
SMILESCC(C)(F)CCC(=O)O
InChIInChI=1S/C6H11FO2/c1-6(2,7)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyRKHCMZJEQQUZFV-UHFFFAOYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methylpentanoic acid?
The IUPAC name of 4-fluoro-4-methylpentanoic acid (CID 83815065) is 4-fluoro-4-methylpentanoic acid.
What is the SMILES notation for 4-fluoro-4-methylpentanoic acid?
The canonical SMILES for 4-fluoro-4-methylpentanoic acid is CC(C)(F)CCC(=O)O.
What is the InChIKey of 4-fluoro-4-methylpentanoic acid?
The InChIKey is RKHCMZJEQQUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-6(2,7)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 4-fluoro-4-methylpentanoic acid?
4-fluoro-4-methylpentanoic acid has a molecular weight of 134.15 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methylpentanoic acid is sourced from PubChem (CID 83815065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).