(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol

C6H11FO6 — CID 67417215

IUPAC(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol
SMILESOC1[C@H](O)[C@H](O)C(O)(F)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11FO6/c7-6(13)4(11)2(9)1(8)3(10)5(6)12/h1-5,8-13H/t1?,2-,3-,4-,5-,6?/m0/s1
InChIKeyHERODZOQBAKYQM-JBFQYEFVSA-N
MW198.15 g/mol
LogP-3.54
Rot. Bonds

About (2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol

(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol (PubChem CID 67417215) has the molecular formula C6H11FO6 and a molecular weight of 198.15 g/mol. Its IUPAC name is (2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol
PubChem CID67417215
Molecular FormulaC6H11FO6
Molecular Weight198.15 g/mol
Exact Mass198.05
IUPAC Name(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol
SMILESOC1[C@H](O)[C@H](O)C(O)(F)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11FO6/c7-6(13)4(11)2(9)1(8)3(10)5(6)12/h1-5,8-13H/t1?,2-,3-,4-,5-,6?/m0/s1
InChIKeyHERODZOQBAKYQM-JBFQYEFVSA-N
XLogP-3.54
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.15
LogP ≤ 5-3.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,5S,6R)-1-phosphanylcyclohexane-1,2,3,4,5,6-hexol
CID 68860724
cyclohexane-1,1,2,2,3,4,4,5,5,6-decol
CID 174675160
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
(1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 101371017
(1S,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 102472709
trans-(4R,6R)-cyclohexane-1,1,2,2,3,3,4,5,6-nonol
CID 174687358
1-[(2R,3S,5S,6S)-1,2,3,4,5,6-hexahydroxycyclohexyl]ethanone
CID 139696884
(1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol
CID 130891885
(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
(3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol
CID 174687155
(1S,2S,3R,4R,5S,6R)-7,7-dimethylbicyclo[4.1.0]heptane-1,2,3,4,5,6-hexol
CID 54385755
rutherfordium;2,2,3-trifluorocyclopropan-1-ol
CID 59685229

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol (CID 67417215) is (2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol is OC1[C@H](O)[C@H](O)C(O)(F)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol?
The InChIKey is HERODZOQBAKYQM-JBFQYEFVSA-N. The full InChI is InChI=1S/C6H11FO6/c7-6(13)4(11)2(9)1(8)3(10)5(6)12/h1-5,8-13H/t1?,2-,3-,4-,5-,6?/m0/s1.
What are the key properties of (2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol?
(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol has a molecular weight of 198.15 g/mol, XLogP of -3.54, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 67417215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).