cyclohexanecarbonyl(trifluoro)boranuide

C7H11BF3O- — CID 164673890

IUPACcyclohexanecarbonyl(trifluoro)boranuide
SMILESO=C(C1CCCCC1)[B-](F)(F)F
InChIInChI=1S/C7H11BF3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6H,1-5H2/q-1
InChIKeyPYKRQVBFVBSZFO-UHFFFAOYSA-N
MW178.97 g/mol
LogP2.52
Rot. Bonds2

About cyclohexanecarbonyl(trifluoro)boranuide

cyclohexanecarbonyl(trifluoro)boranuide (PubChem CID 164673890) has the molecular formula C7H11BF3O- and a molecular weight of 178.97 g/mol. Its IUPAC name is cyclohexanecarbonyl(trifluoro)boranuide.

Molecular Properties

Compound Namecyclohexanecarbonyl(trifluoro)boranuide
PubChem CID164673890
Molecular FormulaC7H11BF3O-
Molecular Weight178.97 g/mol
Exact Mass179.09
IUPAC Namecyclohexanecarbonyl(trifluoro)boranuide
SMILESO=C(C1CCCCC1)[B-](F)(F)F
InChIInChI=1S/C7H11BF3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6H,1-5H2/q-1
InChIKeyPYKRQVBFVBSZFO-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.97
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cyclohexanecarbonyl(trifluoro)boranuide?
The IUPAC name of cyclohexanecarbonyl(trifluoro)boranuide (CID 164673890) is cyclohexanecarbonyl(trifluoro)boranuide.
What is the SMILES notation for cyclohexanecarbonyl(trifluoro)boranuide?
The canonical SMILES for cyclohexanecarbonyl(trifluoro)boranuide is O=C(C1CCCCC1)[B-](F)(F)F.
What is the InChIKey of cyclohexanecarbonyl(trifluoro)boranuide?
The InChIKey is PYKRQVBFVBSZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BF3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6H,1-5H2/q-1.
What are the key properties of cyclohexanecarbonyl(trifluoro)boranuide?
cyclohexanecarbonyl(trifluoro)boranuide has a molecular weight of 178.97 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbonyl(trifluoro)boranuide is sourced from PubChem (CID 164673890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).