(1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

C7H12F2O5 — CID 101371017

IUPAC(1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1(F)F
InChIInChI=1S/C7H12F2O5/c8-7(9)2(1-10)3(11)4(12)5(13)6(7)14/h2-6,10-14H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyDCEKIUUYRVWFAO-VFUOTHLCSA-N
MW214.16 g/mol
LogP-2.31
Rot. Bonds1

About (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

(1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol (PubChem CID 101371017) has the molecular formula C7H12F2O5 and a molecular weight of 214.16 g/mol. Its IUPAC name is (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
PubChem CID101371017
Molecular FormulaC7H12F2O5
Molecular Weight214.16 g/mol
Exact Mass214.07
IUPAC Name(1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1(F)F
InChIInChI=1S/C7H12F2O5/c8-7(9)2(1-10)3(11)4(12)5(13)6(7)14/h2-6,10-14H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyDCEKIUUYRVWFAO-VFUOTHLCSA-N
XLogP-2.31
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol with MolForge

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Related Compounds

(1S,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 102472709
[(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol
CID 15524945
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol
CID 67417215
4-amino-1-[(1S,3R,4R,5S)-2,2-difluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
CID 155530574
(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 20758643
(2,2-difluoro-3-phenylcyclopropyl)methanol
CID 13201699
[(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol
CID 165456668
(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
[2,2-difluoro-3-(4-fluorophenyl)cyclopropyl]methanol
CID 126845026

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol (CID 101371017) is (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol is OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1(F)F.
What is the InChIKey of (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The InChIKey is DCEKIUUYRVWFAO-VFUOTHLCSA-N. The full InChI is InChI=1S/C7H12F2O5/c8-7(9)2(1-10)3(11)4(12)5(13)6(7)14/h2-6,10-14H,1H2/t2-,3-,4+,5-,6-/m1/s1.
What are the key properties of (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
(1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol has a molecular weight of 214.16 g/mol, XLogP of -2.31, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 101371017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).