CID 163739827

C7H3BF2O — CID 163739827

IUPAC—
SMILES[B]c1ccc(C=O)c(F)c1F
InChIInChI=1S/C7H3BF2O/c8-5-2-1-4(3-11)6(9)7(5)10/h1-3H
InChIKeyFJFIOZMMINRYDH-UHFFFAOYSA-N
MW151.91 g/mol
LogP0.57
Rot. Bonds1

About CID 163739827

CID 163739827 (PubChem CID 163739827) has the molecular formula C7H3BF2O and a molecular weight of 151.91 g/mol.

Molecular Properties

Compound NameCID 163739827
PubChem CID163739827
Molecular FormulaC7H3BF2O
Molecular Weight151.91 g/mol
Exact Mass152.02
IUPAC Name—
SMILES[B]c1ccc(C=O)c(F)c1F
InChIInChI=1S/C7H3BF2O/c8-5-2-1-4(3-11)6(9)7(5)10/h1-3H
InChIKeyFJFIOZMMINRYDH-UHFFFAOYSA-N
XLogP0.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.91
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163739827?
The IUPAC name of CID 163739827 (CID 163739827) is not available.
What is the SMILES notation for CID 163739827?
The canonical SMILES for CID 163739827 is [B]c1ccc(C=O)c(F)c1F.
What is the InChIKey of CID 163739827?
The InChIKey is FJFIOZMMINRYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BF2O/c8-5-2-1-4(3-11)6(9)7(5)10/h1-3H.
What are the key properties of CID 163739827?
CID 163739827 has a molecular weight of 151.91 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163739827 is sourced from PubChem (CID 163739827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).