CID 174043263

C10H9B3F2 — CID 174043263

IUPAC—
SMILES[B]c1c([B])c(F)c(F)c(C(C)(C)C)c1[B]
InChIInChI=1S/C10H9B3F2/c1-10(2,3)4-5(11)6(12)7(13)9(15)8(4)14/h1-3H3
InChIKeyGPVBXXMKZFGGDL-UHFFFAOYSA-N
MW199.61 g/mol
LogP-0.36
Rot. Bonds

About CID 174043263

CID 174043263 (PubChem CID 174043263) has the molecular formula C10H9B3F2 and a molecular weight of 199.61 g/mol.

Molecular Properties

Compound NameCID 174043263
PubChem CID174043263
Molecular FormulaC10H9B3F2
Molecular Weight199.61 g/mol
Exact Mass200.10
IUPAC Name—
SMILES[B]c1c([B])c(F)c(F)c(C(C)(C)C)c1[B]
InChIInChI=1S/C10H9B3F2/c1-10(2,3)4-5(11)6(12)7(13)9(15)8(4)14/h1-3H3
InChIKeyGPVBXXMKZFGGDL-UHFFFAOYSA-N
XLogP-0.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.61
LogP ≤ 5-0.36
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 174043263?
The IUPAC name of CID 174043263 (CID 174043263) is not available.
What is the SMILES notation for CID 174043263?
The canonical SMILES for CID 174043263 is [B]c1c([B])c(F)c(F)c(C(C)(C)C)c1[B].
What is the InChIKey of CID 174043263?
The InChIKey is GPVBXXMKZFGGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9B3F2/c1-10(2,3)4-5(11)6(12)7(13)9(15)8(4)14/h1-3H3.
What are the key properties of CID 174043263?
CID 174043263 has a molecular weight of 199.61 g/mol, XLogP of -0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174043263 is sourced from PubChem (CID 174043263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).