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

C6H13FO5 — CID 139026044

IUPAC(2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol
SMILESOC[C@H](O)[C@@H](O)[C@H](F)[C@@H](O)CO
InChIInChI=1S/C6H13FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h3-6,8-12H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKeyZEGLBRXQLUKRML-UNTFVMJOSA-N
MW184.16 g/mol
LogP-2.61
Rot. Bonds5

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

(2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol (PubChem CID 139026044) has the molecular formula C6H13FO5 and a molecular weight of 184.16 g/mol. Its IUPAC name is (2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol
PubChem CID139026044
Molecular FormulaC6H13FO5
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name(2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol
SMILESOC[C@H](O)[C@@H](O)[C@H](F)[C@@H](O)CO
InChIInChI=1S/C6H13FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h3-6,8-12H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKeyZEGLBRXQLUKRML-UNTFVMJOSA-N
XLogP-2.61
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-2.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(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
(2S,3S,4R,5S)-1-fluorohexane-1,2,3,4,5,6-hexol
CID 100966761
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
CID 158428296
CID 158428296
(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride
CID 158818739

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol?
The IUPAC name of (2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol (CID 139026044) is (2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol.
What is the SMILES notation for (2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol?
The canonical SMILES for (2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol is OC[C@H](O)[C@@H](O)[C@H](F)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol?
The InChIKey is ZEGLBRXQLUKRML-UNTFVMJOSA-N. The full InChI is InChI=1S/C6H13FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h3-6,8-12H,1-2H2/t3-,4-,5+,6+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol?
(2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol has a molecular weight of 184.16 g/mol, XLogP of -2.61, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-4-fluorohexane-1,2,3,5,6-pentol is sourced from PubChem (CID 139026044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).