CID 174066935

C11H11B4F — CID 174066935

IUPAC—
SMILES[B]c1c([B])c(C(CC)CC)c([B])c([B])c1F
InChIInChI=1S/C11H11B4F/c1-3-5(4-2)6-7(12)9(14)11(16)10(15)8(6)13/h5H,3-4H2,1-2H3
InChIKeyXOOBUVCVAMTLIB-UHFFFAOYSA-N
MW205.46 g/mol
LogP-1.10
Rot. Bonds3

About CID 174066935

CID 174066935 (PubChem CID 174066935) has the molecular formula C11H11B4F and a molecular weight of 205.46 g/mol.

Molecular Properties

Compound NameCID 174066935
PubChem CID174066935
Molecular FormulaC11H11B4F
Molecular Weight205.46 g/mol
Exact Mass206.12
IUPAC Name—
SMILES[B]c1c([B])c(C(CC)CC)c([B])c([B])c1F
InChIInChI=1S/C11H11B4F/c1-3-5(4-2)6-7(12)9(14)11(16)10(15)8(6)13/h5H,3-4H2,1-2H3
InChIKeyXOOBUVCVAMTLIB-UHFFFAOYSA-N
XLogP-1.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.46
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 174066935?
The IUPAC name of CID 174066935 (CID 174066935) is not available.
What is the SMILES notation for CID 174066935?
The canonical SMILES for CID 174066935 is [B]c1c([B])c(C(CC)CC)c([B])c([B])c1F.
What is the InChIKey of CID 174066935?
The InChIKey is XOOBUVCVAMTLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11B4F/c1-3-5(4-2)6-7(12)9(14)11(16)10(15)8(6)13/h5H,3-4H2,1-2H3.
What are the key properties of CID 174066935?
CID 174066935 has a molecular weight of 205.46 g/mol, XLogP of -1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174066935 is sourced from PubChem (CID 174066935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).