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

C6H13FO6 — CID 100966761

IUPAC(2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol
SMILESOC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)F
InChIInChI=1S/C6H13FO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h2-6,8-13H,1H2/t2-,3+,4-,5-,6?/m0/s1
InChIKeyMLQJCXBZNRJDGZ-QRXFDPRISA-N
MW200.16 g/mol
LogP-3.29
Rot. Bonds5

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

(2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol (PubChem CID 100966761) has the molecular formula C6H13FO6 and a molecular weight of 200.16 g/mol. Its IUPAC name is (2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol
PubChem CID100966761
Molecular FormulaC6H13FO6
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Name(2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol
SMILESOC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)F
InChIInChI=1S/C6H13FO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h2-6,8-13H,1H2/t2-,3+,4-,5-,6?/m0/s1
InChIKeyMLQJCXBZNRJDGZ-QRXFDPRISA-N
XLogP-3.29
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.16
LogP ≤ 5-3.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol with MolForge

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Related Compounds

(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
hexane-1,1,2,3,4,5,6-heptol
CID 20721397
heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
CID 87266813
CID 87266813
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
CID 158428296
CID 158428296

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol (CID 100966761) is (2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol is OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)F.
What is the InChIKey of (2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol?
The InChIKey is MLQJCXBZNRJDGZ-QRXFDPRISA-N. The full InChI is InChI=1S/C6H13FO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h2-6,8-13H,1H2/t2-,3+,4-,5-,6?/m0/s1.
What are the key properties of (2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol?
(2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol has a molecular weight of 200.16 g/mol, XLogP of -3.29, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 100966761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).