CID 147581275

C10H7BF3N — CID 147581275

IUPAC—
SMILES[B]c1cc2cc(C(F)(F)F)[nH]c2cc1C
InChIInChI=1S/C10H7BF3N/c1-5-2-8-6(3-7(5)11)4-9(15-8)10(12,13)14/h2-4,15H,1H3
InChIKeyOCJCBNOUBJBCBD-UHFFFAOYSA-N
MW208.98 g/mol
LogP2.29
Rot. Bonds

About CID 147581275

CID 147581275 (PubChem CID 147581275) has the molecular formula C10H7BF3N and a molecular weight of 208.98 g/mol.

Molecular Properties

Compound NameCID 147581275
PubChem CID147581275
Molecular FormulaC10H7BF3N
Molecular Weight208.98 g/mol
Exact Mass209.06
IUPAC Name—
SMILES[B]c1cc2cc(C(F)(F)F)[nH]c2cc1C
InChIInChI=1S/C10H7BF3N/c1-5-2-8-6(3-7(5)11)4-9(15-8)10(12,13)14/h2-4,15H,1H3
InChIKeyOCJCBNOUBJBCBD-UHFFFAOYSA-N
XLogP2.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.98
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 147581275?
The IUPAC name of CID 147581275 (CID 147581275) is not available.
What is the SMILES notation for CID 147581275?
The canonical SMILES for CID 147581275 is [B]c1cc2cc(C(F)(F)F)[nH]c2cc1C.
What is the InChIKey of CID 147581275?
The InChIKey is OCJCBNOUBJBCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BF3N/c1-5-2-8-6(3-7(5)11)4-9(15-8)10(12,13)14/h2-4,15H,1H3.
What are the key properties of CID 147581275?
CID 147581275 has a molecular weight of 208.98 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147581275 is sourced from PubChem (CID 147581275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).