CID 153135840

C6H3BF2O — CID 153135840

IUPAC—
SMILES[B]c1c(O)ccc(F)c1F
InChIInChI=1S/C6H3BF2O/c7-5-4(10)2-1-3(8)6(5)9/h1-2,10H
InChIKeyQDOALIWMPUEYGL-UHFFFAOYSA-N
MW139.90 g/mol
LogP0.46
Rot. Bonds

About CID 153135840

CID 153135840 (PubChem CID 153135840) has the molecular formula C6H3BF2O and a molecular weight of 139.90 g/mol.

Molecular Properties

Compound NameCID 153135840
PubChem CID153135840
Molecular FormulaC6H3BF2O
Molecular Weight139.90 g/mol
Exact Mass140.02
IUPAC Name—
SMILES[B]c1c(O)ccc(F)c1F
InChIInChI=1S/C6H3BF2O/c7-5-4(10)2-1-3(8)6(5)9/h1-2,10H
InChIKeyQDOALIWMPUEYGL-UHFFFAOYSA-N
XLogP0.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.90
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153135840?
The IUPAC name of CID 153135840 (CID 153135840) is not available.
What is the SMILES notation for CID 153135840?
The canonical SMILES for CID 153135840 is [B]c1c(O)ccc(F)c1F.
What is the InChIKey of CID 153135840?
The InChIKey is QDOALIWMPUEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BF2O/c7-5-4(10)2-1-3(8)6(5)9/h1-2,10H.
What are the key properties of CID 153135840?
CID 153135840 has a molecular weight of 139.90 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153135840 is sourced from PubChem (CID 153135840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).