2-fluoro-5-hydroxyheptanoic acid

C7H13FO3 — CID 141415145

IUPAC2-fluoro-5-hydroxyheptanoic acid
SMILESCCC(O)CCC(F)C(=O)O
InChIInChI=1S/C7H13FO3/c1-2-5(9)3-4-6(8)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyCOKMHIRVTCTSML-UHFFFAOYSA-N
MW164.18 g/mol
LogP0.96
Rot. Bonds5

About 2-fluoro-5-hydroxyheptanoic acid

2-fluoro-5-hydroxyheptanoic acid (PubChem CID 141415145) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-fluoro-5-hydroxyheptanoic acid.

Molecular Properties

Compound Name2-fluoro-5-hydroxyheptanoic acid
PubChem CID141415145
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name2-fluoro-5-hydroxyheptanoic acid
SMILESCCC(O)CCC(F)C(=O)O
InChIInChI=1S/C7H13FO3/c1-2-5(9)3-4-6(8)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyCOKMHIRVTCTSML-UHFFFAOYSA-N
XLogP0.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-hydroxyheptanoic acid?
The IUPAC name of 2-fluoro-5-hydroxyheptanoic acid (CID 141415145) is 2-fluoro-5-hydroxyheptanoic acid.
What is the SMILES notation for 2-fluoro-5-hydroxyheptanoic acid?
The canonical SMILES for 2-fluoro-5-hydroxyheptanoic acid is CCC(O)CCC(F)C(=O)O.
What is the InChIKey of 2-fluoro-5-hydroxyheptanoic acid?
The InChIKey is COKMHIRVTCTSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3/c1-2-5(9)3-4-6(8)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-fluoro-5-hydroxyheptanoic acid?
2-fluoro-5-hydroxyheptanoic acid has a molecular weight of 164.18 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hydroxyheptanoic acid is sourced from PubChem (CID 141415145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).