6-fluoro-3,5-dihydroxyhept-6-enoic acid

C7H11FO4 — CID 19767663

IUPAC6-fluoro-3,5-dihydroxyhept-6-enoic acid
SMILESC=C(F)C(O)CC(O)CC(=O)O
InChIInChI=1S/C7H11FO4/c1-4(8)6(10)2-5(9)3-7(11)12/h5-6,9-10H,1-3H2,(H,11,12)
InChIKeyPHIYKOIAGGEELG-UHFFFAOYSA-N
MW178.16 g/mol
LogP0.06
Rot. Bonds5

About 6-fluoro-3,5-dihydroxyhept-6-enoic acid

6-fluoro-3,5-dihydroxyhept-6-enoic acid (PubChem CID 19767663) has the molecular formula C7H11FO4 and a molecular weight of 178.16 g/mol. Its IUPAC name is 6-fluoro-3,5-dihydroxyhept-6-enoic acid.

Molecular Properties

Compound Name6-fluoro-3,5-dihydroxyhept-6-enoic acid
PubChem CID19767663
Molecular FormulaC7H11FO4
Molecular Weight178.16 g/mol
Exact Mass178.06
IUPAC Name6-fluoro-3,5-dihydroxyhept-6-enoic acid
SMILESC=C(F)C(O)CC(O)CC(=O)O
InChIInChI=1S/C7H11FO4/c1-4(8)6(10)2-5(9)3-7(11)12/h5-6,9-10H,1-3H2,(H,11,12)
InChIKeyPHIYKOIAGGEELG-UHFFFAOYSA-N
XLogP0.06
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,5-dihydroxyhept-6-enoic acid?
The IUPAC name of 6-fluoro-3,5-dihydroxyhept-6-enoic acid (CID 19767663) is 6-fluoro-3,5-dihydroxyhept-6-enoic acid.
What is the SMILES notation for 6-fluoro-3,5-dihydroxyhept-6-enoic acid?
The canonical SMILES for 6-fluoro-3,5-dihydroxyhept-6-enoic acid is C=C(F)C(O)CC(O)CC(=O)O.
What is the InChIKey of 6-fluoro-3,5-dihydroxyhept-6-enoic acid?
The InChIKey is PHIYKOIAGGEELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO4/c1-4(8)6(10)2-5(9)3-7(11)12/h5-6,9-10H,1-3H2,(H,11,12).
What are the key properties of 6-fluoro-3,5-dihydroxyhept-6-enoic acid?
6-fluoro-3,5-dihydroxyhept-6-enoic acid has a molecular weight of 178.16 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,5-dihydroxyhept-6-enoic acid is sourced from PubChem (CID 19767663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).