CID 21040981

C6H10BFO2 — CID 21040981

IUPAC—
SMILES[B]C1OC(CO)C(C)C1F
InChIInChI=1S/C6H10BFO2/c1-3-4(2-9)10-6(7)5(3)8/h3-6,9H,2H2,1H3
InChIKeyHXTRNHFAVLWDOR-UHFFFAOYSA-N
MW143.95 g/mol
LogP-0.15
Rot. Bonds1

About CID 21040981

CID 21040981 (PubChem CID 21040981) has the molecular formula C6H10BFO2 and a molecular weight of 143.95 g/mol.

Molecular Properties

Compound NameCID 21040981
PubChem CID21040981
Molecular FormulaC6H10BFO2
Molecular Weight143.95 g/mol
Exact Mass144.08
IUPAC Name—
SMILES[B]C1OC(CO)C(C)C1F
InChIInChI=1S/C6H10BFO2/c1-3-4(2-9)10-6(7)5(3)8/h3-6,9H,2H2,1H3
InChIKeyHXTRNHFAVLWDOR-UHFFFAOYSA-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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5-(Fluoromethyl)-4-methyloxolan-3-ol
CID 58952835
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CID 58997570

Frequently Asked Questions

What is the IUPAC name of CID 21040981?
The IUPAC name of CID 21040981 (CID 21040981) is not available.
What is the SMILES notation for CID 21040981?
The canonical SMILES for CID 21040981 is [B]C1OC(CO)C(C)C1F.
What is the InChIKey of CID 21040981?
The InChIKey is HXTRNHFAVLWDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BFO2/c1-3-4(2-9)10-6(7)5(3)8/h3-6,9H,2H2,1H3.
What are the key properties of CID 21040981?
CID 21040981 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 21040981 is sourced from PubChem (CID 21040981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).