2-fluoro-5-methylhexanoic acid

C7H13FO2 — CID 55299634

IUPAC2-fluoro-5-methylhexanoic acid
SMILESCC(C)CCC(F)C(=O)O
InChIInChI=1S/C7H13FO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyODIHSKPVAUZUKP-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.85
Rot. Bonds4

About 2-fluoro-5-methylhexanoic acid

2-fluoro-5-methylhexanoic acid (PubChem CID 55299634) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-fluoro-5-methylhexanoic acid.

Molecular Properties

Compound Name2-fluoro-5-methylhexanoic acid
PubChem CID55299634
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2-fluoro-5-methylhexanoic acid
SMILESCC(C)CCC(F)C(=O)O
InChIInChI=1S/C7H13FO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyODIHSKPVAUZUKP-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylhexanoic acid?
The IUPAC name of 2-fluoro-5-methylhexanoic acid (CID 55299634) is 2-fluoro-5-methylhexanoic acid.
What is the SMILES notation for 2-fluoro-5-methylhexanoic acid?
The canonical SMILES for 2-fluoro-5-methylhexanoic acid is CC(C)CCC(F)C(=O)O.
What is the InChIKey of 2-fluoro-5-methylhexanoic acid?
The InChIKey is ODIHSKPVAUZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-fluoro-5-methylhexanoic acid?
2-fluoro-5-methylhexanoic acid has a molecular weight of 148.18 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylhexanoic acid is sourced from PubChem (CID 55299634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).