(1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol

C6H10F2O4 — CID 130891885

IUPAC(1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol
SMILESO[C@@H]1[C@H](O)[C@@H](O)C(F)(F)C[C@@H]1O
InChIInChI=1S/C6H10F2O4/c7-6(8)1-2(9)3(10)4(11)5(6)12/h2-5,9-12H,1H2/t2-,3-,4-,5+/m0/s1
InChIKeyCALKILZMYWDLNQ-NEEWWZBLSA-N
MW184.14 g/mol
LogP-1.53
Rot. Bonds

About (1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol

(1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol (PubChem CID 130891885) has the molecular formula C6H10F2O4 and a molecular weight of 184.14 g/mol. Its IUPAC name is (1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol
PubChem CID130891885
Molecular FormulaC6H10F2O4
Molecular Weight184.14 g/mol
Exact Mass184.05
IUPAC Name(1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol
SMILESO[C@@H]1[C@H](O)[C@@H](O)C(F)(F)C[C@@H]1O
InChIInChI=1S/C6H10F2O4/c7-6(8)1-2(9)3(10)4(11)5(6)12/h2-5,9-12H,1H2/t2-,3-,4-,5+/m0/s1
InChIKeyCALKILZMYWDLNQ-NEEWWZBLSA-N
XLogP-1.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 18600751
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CID 156612513
(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol
CID 67417215
5,5-difluoro-6-hydroxypiperidin-2-one
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CID 78226014
3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol
CID 142357927
(2R,4R,5R)-3,3-difluorooxane-2,4,5-triol
CID 10855910
1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
CID 52630352
2,2-difluoro-5-methylidenecyclopentan-1-ol
CID 134254646
1-(2,2-difluorocyclopropyl)-4-methylbenzene
CID 25210513
(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol
CID 167145522
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CID 10176209

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol (CID 130891885) is (1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol is O[C@@H]1[C@H](O)[C@@H](O)C(F)(F)C[C@@H]1O.
What is the InChIKey of (1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol?
The InChIKey is CALKILZMYWDLNQ-NEEWWZBLSA-N. The full InChI is InChI=1S/C6H10F2O4/c7-6(8)1-2(9)3(10)4(11)5(6)12/h2-5,9-12H,1H2/t2-,3-,4-,5+/m0/s1.
What are the key properties of (1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol?
(1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol has a molecular weight of 184.14 g/mol, XLogP of -1.53, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 130891885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).