6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid

C9H11FO7 — CID 173118684

IUPAC6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(C(=O)O)C(CC=CF)C(=O)O
InChIInChI=1S/C9H11FO7/c10-3-1-2-5(7(13)14)9(17,8(15)16)4-6(11)12/h1,3,5,17H,2,4H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyARVMNBKIPFFSII-UHFFFAOYSA-N
MW250.18 g/mol
LogP-0.15
Rot. Bonds7

About 6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid

6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid (PubChem CID 173118684) has the molecular formula C9H11FO7 and a molecular weight of 250.18 g/mol. Its IUPAC name is 6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid
PubChem CID173118684
Molecular FormulaC9H11FO7
Molecular Weight250.18 g/mol
Exact Mass250.05
IUPAC Name6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(C(=O)O)C(CC=CF)C(=O)O
InChIInChI=1S/C9H11FO7/c10-3-1-2-5(7(13)14)9(17,8(15)16)4-6(11)12/h1,3,5,17H,2,4H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyARVMNBKIPFFSII-UHFFFAOYSA-N
XLogP-0.15
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid?
The IUPAC name of 6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid (CID 173118684) is 6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid.
What is the SMILES notation for 6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid?
The canonical SMILES for 6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid is O=C(O)CC(O)(C(=O)O)C(CC=CF)C(=O)O.
What is the InChIKey of 6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid?
The InChIKey is ARVMNBKIPFFSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO7/c10-3-1-2-5(7(13)14)9(17,8(15)16)4-6(11)12/h1,3,5,17H,2,4H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid?
6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid has a molecular weight of 250.18 g/mol, XLogP of -0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-hydroxyhex-5-ene-1,2,3-tricarboxylic acid is sourced from PubChem (CID 173118684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).