CID 59892784

C6H10BFO2 — CID 59892784

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)C(C)C1F
InChIInChI=1S/C6H10BFO2/c1-3-4(2-9)10-6(7)5(3)8/h3-6,9H,2H2,1H3/t3?,4-,5?,6-/m1/s1
InChIKeyHXTRNHFAVLWDOR-MUTXJXMQSA-N
MW143.95 g/mol
LogP-0.15
Rot. Bonds1

About CID 59892784

CID 59892784 (PubChem CID 59892784) has the molecular formula C6H10BFO2 and a molecular weight of 143.95 g/mol.

Molecular Properties

Compound NameCID 59892784
PubChem CID59892784
Molecular FormulaC6H10BFO2
Molecular Weight143.95 g/mol
Exact Mass144.08
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)C(C)C1F
InChIInChI=1S/C6H10BFO2/c1-3-4(2-9)10-6(7)5(3)8/h3-6,9H,2H2,1H3/t3?,4-,5?,6-/m1/s1
InChIKeyHXTRNHFAVLWDOR-MUTXJXMQSA-N
XLogP-0.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.95
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[(2R,3S,4S)-3-fluoro-4,5-dimethyloxolan-2-yl]methanol
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[(2S,3R,4R)-4-fluoro-3,5-dimethyloxolan-2-yl]methanol
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CID 58681815
CID 58681815
5-(Fluoromethyl)-4-methyloxolan-3-ol
CID 58952835
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CID 58997570

Frequently Asked Questions

What is the IUPAC name of CID 59892784?
The IUPAC name of CID 59892784 (CID 59892784) is not available.
What is the SMILES notation for CID 59892784?
The canonical SMILES for CID 59892784 is [B][C@@H]1O[C@H](CO)C(C)C1F.
What is the InChIKey of CID 59892784?
The InChIKey is HXTRNHFAVLWDOR-MUTXJXMQSA-N. The full InChI is InChI=1S/C6H10BFO2/c1-3-4(2-9)10-6(7)5(3)8/h3-6,9H,2H2,1H3/t3?,4-,5?,6-/m1/s1.
What are the key properties of CID 59892784?
CID 59892784 has a molecular weight of 143.95 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59892784 is sourced from PubChem (CID 59892784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).