2-benzyl-3-chloro-2,4,5-trifluorooxolane

C11H10ClF3O — CID 141186513

IUPAC2-benzyl-3-chloro-2,4,5-trifluorooxolane
SMILESFC1OC(F)(Cc2ccccc2)C(Cl)C1F
InChIInChI=1S/C11H10ClF3O/c12-9-8(13)10(14)16-11(9,15)6-7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKeyNDCNOTZFKAJHFQ-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.17
Rot. Bonds2

About 2-benzyl-3-chloro-2,4,5-trifluorooxolane

2-benzyl-3-chloro-2,4,5-trifluorooxolane (PubChem CID 141186513) has the molecular formula C11H10ClF3O and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-benzyl-3-chloro-2,4,5-trifluorooxolane.

Molecular Properties

Compound Name2-benzyl-3-chloro-2,4,5-trifluorooxolane
PubChem CID141186513
Molecular FormulaC11H10ClF3O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name2-benzyl-3-chloro-2,4,5-trifluorooxolane
SMILESFC1OC(F)(Cc2ccccc2)C(Cl)C1F
InChIInChI=1S/C11H10ClF3O/c12-9-8(13)10(14)16-11(9,15)6-7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKeyNDCNOTZFKAJHFQ-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-chloro-2,4,5-trifluorooxolane?
The IUPAC name of 2-benzyl-3-chloro-2,4,5-trifluorooxolane (CID 141186513) is 2-benzyl-3-chloro-2,4,5-trifluorooxolane.
What is the SMILES notation for 2-benzyl-3-chloro-2,4,5-trifluorooxolane?
The canonical SMILES for 2-benzyl-3-chloro-2,4,5-trifluorooxolane is FC1OC(F)(Cc2ccccc2)C(Cl)C1F.
What is the InChIKey of 2-benzyl-3-chloro-2,4,5-trifluorooxolane?
The InChIKey is NDCNOTZFKAJHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O/c12-9-8(13)10(14)16-11(9,15)6-7-4-2-1-3-5-7/h1-5,8-10H,6H2.
What are the key properties of 2-benzyl-3-chloro-2,4,5-trifluorooxolane?
2-benzyl-3-chloro-2,4,5-trifluorooxolane has a molecular weight of 250.65 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-chloro-2,4,5-trifluorooxolane is sourced from PubChem (CID 141186513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).