CID 11286555

C5H8BFO3 — CID 11286555

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeyIHRCXWBHBBZJDG-KKQCNMDGSA-N
MW145.93 g/mol
LogP-1.43
Rot. Bonds1

About CID 11286555

CID 11286555 (PubChem CID 11286555) has the molecular formula C5H8BFO3 and a molecular weight of 145.93 g/mol.

Molecular Properties

Compound NameCID 11286555
PubChem CID11286555
Molecular FormulaC5H8BFO3
Molecular Weight145.93 g/mol
Exact Mass146.06
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeyIHRCXWBHBBZJDG-KKQCNMDGSA-N
XLogP-1.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.93
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydrofurfuryl alcohol
CID 7360
(2S)-(+)-2-(Hydroxymethyl)tetrahydrofuran
CID 637528
(3R,5S)-5-(hydroxymethyl)tetrahydrofuran-3-ol
CID 5289103
(2R)-oxolan-2-ylmethanol
CID 6931745
rel-(2R,3R)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 58649439
(3-Fluorooxolan-2-yl)methanol
CID 21691700
(3,3-Difluorotetrahydrofuran-2-YL)methanol
CID 90449136
1,2-Dideoxy-L-ribofuranose
CID 21120394
1,2-Dideoxyribofuranose
CID 124657
(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 18661324
(2R,3S,4R)-4-fluoro-2-(hydroxymethyl)oxolane-3,4-diol
CID 18667020
(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolane-3,4-diol
CID 22838514

Frequently Asked Questions

What is the IUPAC name of CID 11286555?
The IUPAC name of CID 11286555 (CID 11286555) is not available.
What is the SMILES notation for CID 11286555?
The canonical SMILES for CID 11286555 is [B][C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F.
What is the InChIKey of CID 11286555?
The InChIKey is IHRCXWBHBBZJDG-KKQCNMDGSA-N. The full InChI is InChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2-,3+,4-,5-/m1/s1.
What are the key properties of CID 11286555?
CID 11286555 has a molecular weight of 145.93 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11286555 is sourced from PubChem (CID 11286555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).