(2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol

C4H7F2IO3 — CID 162586330

IUPAC(2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol
SMILESOC[C@@H](O)[C@@H](O)C(F)(F)I
InChIInChI=1S/C4H7F2IO3/c5-4(6,7)3(10)2(9)1-8/h2-3,8-10H,1H2/t2-,3-/m1/s1
InChIKeyOOUNBGWVEMQWSJ-PWNYCUMCSA-N
MW268.00 g/mol
LogP-0.27
Rot. Bonds3

About (2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol

(2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol (PubChem CID 162586330) has the molecular formula C4H7F2IO3 and a molecular weight of 268.00 g/mol. Its IUPAC name is (2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol
PubChem CID162586330
Molecular FormulaC4H7F2IO3
Molecular Weight268.00 g/mol
Exact Mass267.94
IUPAC Name(2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol
SMILESOC[C@@H](O)[C@@H](O)C(F)(F)I
InChIInChI=1S/C4H7F2IO3/c5-4(6,7)3(10)2(9)1-8/h2-3,8-10H,1H2/t2-,3-/m1/s1
InChIKeyOOUNBGWVEMQWSJ-PWNYCUMCSA-N
XLogP-0.27
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.00
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 122371749
hexane-1,2,3,3,4,5,6-heptol
CID 59979821
[(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium
CID 141047136
ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate
CID 143803967
1-amino-2,2-difluoro-2-iodoethanol
CID 146752518
(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
CID 54330413
(3S,4R)-1,1,1-trifluoro-3,4,5-trihydroxypentan-2-one
CID 152743649
(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,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
1-(1,2,3-trihydroxypropyldisulfanyl)propane-1,2,3-triol
CID 87220682

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol?
The IUPAC name of (2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol (CID 162586330) is (2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol.
What is the SMILES notation for (2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol?
The canonical SMILES for (2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol is OC[C@@H](O)[C@@H](O)C(F)(F)I.
What is the InChIKey of (2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol?
The InChIKey is OOUNBGWVEMQWSJ-PWNYCUMCSA-N. The full InChI is InChI=1S/C4H7F2IO3/c5-4(6,7)3(10)2(9)1-8/h2-3,8-10H,1H2/t2-,3-/m1/s1.
What are the key properties of (2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol?
(2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol has a molecular weight of 268.00 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol is sourced from PubChem (CID 162586330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).