(1-chloro-2-fluoroethyl)-diphenylborane

C14H13BClF — CID 67927372

IUPAC(1-chloro-2-fluoroethyl)-diphenylborane
SMILESFCC(Cl)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13BClF/c16-14(11-17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyDTRHVAWDJIHEEO-UHFFFAOYSA-N
MW246.52 g/mol
LogP2.41
Rot. Bonds4

About (1-chloro-2-fluoroethyl)-diphenylborane

(1-chloro-2-fluoroethyl)-diphenylborane (PubChem CID 67927372) has the molecular formula C14H13BClF and a molecular weight of 246.52 g/mol. Its IUPAC name is (1-chloro-2-fluoroethyl)-diphenylborane.

Molecular Properties

Compound Name(1-chloro-2-fluoroethyl)-diphenylborane
PubChem CID67927372
Molecular FormulaC14H13BClF
Molecular Weight246.52 g/mol
Exact Mass246.08
IUPAC Name(1-chloro-2-fluoroethyl)-diphenylborane
SMILESFCC(Cl)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13BClF/c16-14(11-17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyDTRHVAWDJIHEEO-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.52
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-fluoroethyl)-diphenylborane?
The IUPAC name of (1-chloro-2-fluoroethyl)-diphenylborane (CID 67927372) is (1-chloro-2-fluoroethyl)-diphenylborane.
What is the SMILES notation for (1-chloro-2-fluoroethyl)-diphenylborane?
The canonical SMILES for (1-chloro-2-fluoroethyl)-diphenylborane is FCC(Cl)B(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-chloro-2-fluoroethyl)-diphenylborane?
The InChIKey is DTRHVAWDJIHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BClF/c16-14(11-17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of (1-chloro-2-fluoroethyl)-diphenylborane?
(1-chloro-2-fluoroethyl)-diphenylborane has a molecular weight of 246.52 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-fluoroethyl)-diphenylborane is sourced from PubChem (CID 67927372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).