CID 90429294

C9H16BFO3 — CID 90429294

IUPAC—
SMILES[B]C1OC(CO)(C(C)(C)C)C(O)C1F
InChIInChI=1S/C9H16BFO3/c1-8(2,3)9(4-12)6(13)5(11)7(10)14-9/h5-7,12-13H,4H2,1-3H3
InChIKeyWLAUWXXEQYBXMB-UHFFFAOYSA-N
MW202.03 g/mol
LogP-0.01
Rot. Bonds1

About CID 90429294

CID 90429294 (PubChem CID 90429294) has the molecular formula C9H16BFO3 and a molecular weight of 202.03 g/mol.

Molecular Properties

Compound NameCID 90429294
PubChem CID90429294
Molecular FormulaC9H16BFO3
Molecular Weight202.03 g/mol
Exact Mass202.12
IUPAC Name—
SMILES[B]C1OC(CO)(C(C)(C)C)C(O)C1F
InChIInChI=1S/C9H16BFO3/c1-8(2,3)9(4-12)6(13)5(11)7(10)14-9/h5-7,12-13H,4H2,1-3H3
InChIKeyWLAUWXXEQYBXMB-UHFFFAOYSA-N
XLogP-0.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.03
LogP ≤ 5-0.01
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

(3-Fluoro-2,3,4,4,5,5-hexamethyloxolan-2-yl)methanol
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5-Tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 155619011
CID 157499004
CID 157499004
[(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol
CID 147188375
CID 54486614
CID 54486614
(2R)-2-(hydroxymethyl)-2,3,4,4,5,5-hexamethyloxolan-3-ol
CID 57973239
[(2R)-2-(methoxymethyl)-4,4,5,5-tetramethyloxolan-2-yl]methanol
CID 58196135
CID 59076971
CID 59076971
CID 59882492
CID 59882492
CID 59906668
CID 59906668

Frequently Asked Questions

What is the IUPAC name of CID 90429294?
The IUPAC name of CID 90429294 (CID 90429294) is not available.
What is the SMILES notation for CID 90429294?
The canonical SMILES for CID 90429294 is [B]C1OC(CO)(C(C)(C)C)C(O)C1F.
What is the InChIKey of CID 90429294?
The InChIKey is WLAUWXXEQYBXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BFO3/c1-8(2,3)9(4-12)6(13)5(11)7(10)14-9/h5-7,12-13H,4H2,1-3H3.
What are the key properties of CID 90429294?
CID 90429294 has a molecular weight of 202.03 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90429294 is sourced from PubChem (CID 90429294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).