(1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol

C10H11FO3 — CID 102091522

IUPAC(1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol
SMILESO[C@H]1[C@H](O)[C@@H](F)c2ccccc2[C@H]1O
InChIInChI=1S/C10H11FO3/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,7-10,12-14H/t7-,8+,9+,10+/m0/s1
InChIKeyPWJIESNRYDGJFM-SGIHWFKDSA-N
MW198.19 g/mol
LogP0.47
Rot. Bonds

About (1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol

(1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol (PubChem CID 102091522) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is (1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol
PubChem CID102091522
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name(1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol
SMILESO[C@H]1[C@H](O)[C@@H](F)c2ccccc2[C@H]1O
InChIInChI=1S/C10H11FO3/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,7-10,12-14H/t7-,8+,9+,10+/m0/s1
InChIKeyPWJIESNRYDGJFM-SGIHWFKDSA-N
XLogP0.47
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol?
The IUPAC name of (1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol (CID 102091522) is (1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol.
What is the SMILES notation for (1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol?
The canonical SMILES for (1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol is O[C@H]1[C@H](O)[C@@H](F)c2ccccc2[C@H]1O.
What is the InChIKey of (1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol?
The InChIKey is PWJIESNRYDGJFM-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H11FO3/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,7-10,12-14H/t7-,8+,9+,10+/m0/s1.
What are the key properties of (1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol?
(1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol has a molecular weight of 198.19 g/mol, XLogP of 0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol is sourced from PubChem (CID 102091522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).