(1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol

C6H9FO3 — CID 170984255

IUPAC(1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol
SMILESO[C@H]1[C@H](O)[C@@H](F)C=C[C@@H]1O
InChIInChI=1S/C6H9FO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1
InChIKeyDGGHLTXNAWHUTK-UNTFVMJOSA-N
MW148.13 g/mol
LogP-1.02
Rot. Bonds

About (1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol

(1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol (PubChem CID 170984255) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is (1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol.

Molecular Properties

Compound Name(1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol
PubChem CID170984255
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name(1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol
SMILESO[C@H]1[C@H](O)[C@@H](F)C=C[C@@H]1O
InChIInChI=1S/C6H9FO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1
InChIKeyDGGHLTXNAWHUTK-UNTFVMJOSA-N
XLogP-1.02
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol?
The IUPAC name of (1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol (CID 170984255) is (1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol.
What is the SMILES notation for (1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol?
The canonical SMILES for (1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol is O[C@H]1[C@H](O)[C@@H](F)C=C[C@@H]1O.
What is the InChIKey of (1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol?
The InChIKey is DGGHLTXNAWHUTK-UNTFVMJOSA-N. The full InChI is InChI=1S/C6H9FO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1.
What are the key properties of (1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol?
(1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol has a molecular weight of 148.13 g/mol, XLogP of -1.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,6S)-6-fluorocyclohex-4-ene-1,2,3-triol is sourced from PubChem (CID 170984255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).