CID 140768567

C6H10BFO3 — CID 140768567

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)[C@@H](O)[C@H]1F
InChIInChI=1S/C6H10BFO3/c1-10-2-3-5(9)4(8)6(7)11-3/h3-6,9H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKeyNBNARUVFSVUUSL-KVTDHHQDSA-N
MW159.95 g/mol
LogP-0.77
Rot. Bonds2

About CID 140768567

CID 140768567 (PubChem CID 140768567) has the molecular formula C6H10BFO3 and a molecular weight of 159.95 g/mol.

Molecular Properties

Compound NameCID 140768567
PubChem CID140768567
Molecular FormulaC6H10BFO3
Molecular Weight159.95 g/mol
Exact Mass160.07
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)[C@@H](O)[C@H]1F
InChIInChI=1S/C6H10BFO3/c1-10-2-3-5(9)4(8)6(7)11-3/h3-6,9H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKeyNBNARUVFSVUUSL-KVTDHHQDSA-N
XLogP-0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.95
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 54357491
(3-Fluorooxolan-2-yl)methanol
CID 21691700
(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
Ribofuranosyl fluoride
CID 54492284
Arabinofuranosyl fluoride
CID 54492285
(2R,3R,4R)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol
CID 57213152
(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 70142416
Xylofuranosyl fluoride
CID 129681886
(2S,3R,4R,5S)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
CID 124022134
Lyxofuranosyl fluoride
CID 129681946

Frequently Asked Questions

What is the IUPAC name of CID 140768567?
The IUPAC name of CID 140768567 (CID 140768567) is not available.
What is the SMILES notation for CID 140768567?
The canonical SMILES for CID 140768567 is [B][C@@H]1O[C@H](COC)[C@@H](O)[C@H]1F.
What is the InChIKey of CID 140768567?
The InChIKey is NBNARUVFSVUUSL-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H10BFO3/c1-10-2-3-5(9)4(8)6(7)11-3/h3-6,9H,2H2,1H3/t3-,4-,5-,6-/m1/s1.
What are the key properties of CID 140768567?
CID 140768567 has a molecular weight of 159.95 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140768567 is sourced from PubChem (CID 140768567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).