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

C6H11FO5 — CID 73352744

IUPAC(1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol
SMILESOC1[C@H](O)[C@H](O)C(F)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11FO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H/t1?,2-,3-,4-,5-,6?/m1/s1
InChIKeyPDTJJYSBSOKEOY-LMEIFLMCSA-N
MW182.15 g/mol
LogP-2.86
Rot. Bonds

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

(1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol (PubChem CID 73352744) has the molecular formula C6H11FO5 and a molecular weight of 182.15 g/mol. Its IUPAC name is (1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol
PubChem CID73352744
Molecular FormulaC6H11FO5
Molecular Weight182.15 g/mol
Exact Mass182.06
IUPAC Name(1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol
SMILESOC1[C@H](O)[C@H](O)C(F)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11FO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H/t1?,2-,3-,4-,5-,6?/m1/s1
InChIKeyPDTJJYSBSOKEOY-LMEIFLMCSA-N
XLogP-2.86
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 5-2.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol (CID 73352744) is (1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol is OC1[C@H](O)[C@H](O)C(F)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol?
The InChIKey is PDTJJYSBSOKEOY-LMEIFLMCSA-N. The full InChI is InChI=1S/C6H11FO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H/t1?,2-,3-,4-,5-,6?/m1/s1.
What are the key properties of (1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol?
(1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol has a molecular weight of 182.15 g/mol, XLogP of -2.86, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 73352744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).