CID 174384413

C10HBF6 — CID 174384413

IUPAC—
SMILES[B]c1c(F)cc(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C10HBF6/c11-6-3(13)1-2(12)4-5(6)8(15)10(17)9(16)7(4)14/h1H
InChIKeyBOAKEEKVDOOHKT-UHFFFAOYSA-N
MW245.92 g/mol
LogP2.47
Rot. Bonds

About CID 174384413

CID 174384413 (PubChem CID 174384413) has the molecular formula C10HBF6 and a molecular weight of 245.92 g/mol.

Molecular Properties

Compound NameCID 174384413
PubChem CID174384413
Molecular FormulaC10HBF6
Molecular Weight245.92 g/mol
Exact Mass246.01
IUPAC Name—
SMILES[B]c1c(F)cc(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C10HBF6/c11-6-3(13)1-2(12)4-5(6)8(15)10(17)9(16)7(4)14/h1H
InChIKeyBOAKEEKVDOOHKT-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.92
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174384413?
The IUPAC name of CID 174384413 (CID 174384413) is not available.
What is the SMILES notation for CID 174384413?
The canonical SMILES for CID 174384413 is [B]c1c(F)cc(F)c2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of CID 174384413?
The InChIKey is BOAKEEKVDOOHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HBF6/c11-6-3(13)1-2(12)4-5(6)8(15)10(17)9(16)7(4)14/h1H.
What are the key properties of CID 174384413?
CID 174384413 has a molecular weight of 245.92 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174384413 is sourced from PubChem (CID 174384413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).