(Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid

C6H9FO3 — CID 147976795

IUPAC(Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid
SMILESC/C=C(\F)[C@@H](O)CC(=O)O
InChIInChI=1S/C6H9FO3/c1-2-4(7)5(8)3-6(9)10/h2,5,8H,3H2,1H3,(H,9,10)/b4-2-/t5-/m0/s1
InChIKeyISLBWTRDLXACHM-PSRSYCBASA-N
MW148.13 g/mol
LogP0.70
Rot. Bonds3

About (Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid

(Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid (PubChem CID 147976795) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is (Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid.

Molecular Properties

Compound Name(Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid
PubChem CID147976795
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name(Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid
SMILESC/C=C(\F)[C@@H](O)CC(=O)O
InChIInChI=1S/C6H9FO3/c1-2-4(7)5(8)3-6(9)10/h2,5,8H,3H2,1H3,(H,9,10)/b4-2-/t5-/m0/s1
InChIKeyISLBWTRDLXACHM-PSRSYCBASA-N
XLogP0.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid?
The IUPAC name of (Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid (CID 147976795) is (Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid.
What is the SMILES notation for (Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid?
The canonical SMILES for (Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid is C/C=C(\F)[C@@H](O)CC(=O)O.
What is the InChIKey of (Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid?
The InChIKey is ISLBWTRDLXACHM-PSRSYCBASA-N. The full InChI is InChI=1S/C6H9FO3/c1-2-4(7)5(8)3-6(9)10/h2,5,8H,3H2,1H3,(H,9,10)/b4-2-/t5-/m0/s1.
What are the key properties of (Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid?
(Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid has a molecular weight of 148.13 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-4-fluoro-3-hydroxyhex-4-enoic acid is sourced from PubChem (CID 147976795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).