(2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol

C5H9F3O4 — CID 122371749

IUPAC(2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol
SMILESOC[C@H](O)[C@@H](O)[C@@H](O)C(F)(F)F
InChIInChI=1S/C5H9F3O4/c6-5(7,8)4(12)3(11)2(10)1-9/h2-4,9-12H,1H2/t2-,3+,4+/m0/s1
InChIKeyFZEZUFOKKJEGIJ-PZGQECOJSA-N
MW190.12 g/mol
LogP-1.38
Rot. Bonds3

About (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol

(2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol (PubChem CID 122371749) has the molecular formula C5H9F3O4 and a molecular weight of 190.12 g/mol. Its IUPAC name is (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol
PubChem CID122371749
Molecular FormulaC5H9F3O4
Molecular Weight190.12 g/mol
Exact Mass190.05
IUPAC Name(2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol
SMILESOC[C@H](O)[C@@H](O)[C@@H](O)C(F)(F)F
InChIInChI=1S/C5H9F3O4/c6-5(7,8)4(12)3(11)2(10)1-9/h2-4,9-12H,1H2/t2-,3+,4+/m0/s1
InChIKeyFZEZUFOKKJEGIJ-PZGQECOJSA-N
XLogP-1.38
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol 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
2,2-bis(hydroxymethyl)propane-1,3-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 87333219
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(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
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol?
The IUPAC name of (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol (CID 122371749) is (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol is OC[C@H](O)[C@@H](O)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol?
The InChIKey is FZEZUFOKKJEGIJ-PZGQECOJSA-N. The full InChI is InChI=1S/C5H9F3O4/c6-5(7,8)4(12)3(11)2(10)1-9/h2-4,9-12H,1H2/t2-,3+,4+/m0/s1.
What are the key properties of (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol?
(2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol has a molecular weight of 190.12 g/mol, XLogP of -1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol is sourced from PubChem (CID 122371749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).