2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane

C11H10ClF3O — CID 61084332

IUPAC2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane
SMILESFc1cc(F)c(C(Cl)C2CCCO2)c(F)c1
InChIInChI=1S/C11H10ClF3O/c12-11(9-2-1-3-16-9)10-7(14)4-6(13)5-8(10)15/h4-5,9,11H,1-3H2
InChIKeyNMIBMQUHFZARBR-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.56
Rot. Bonds2

About 2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane

2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane (PubChem CID 61084332) has the molecular formula C11H10ClF3O and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane.

Molecular Properties

Compound Name2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane
PubChem CID61084332
Molecular FormulaC11H10ClF3O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane
SMILESFc1cc(F)c(C(Cl)C2CCCO2)c(F)c1
InChIInChI=1S/C11H10ClF3O/c12-11(9-2-1-3-16-9)10-7(14)4-6(13)5-8(10)15/h4-5,9,11H,1-3H2
InChIKeyNMIBMQUHFZARBR-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
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-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane?
The IUPAC name of 2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane (CID 61084332) is 2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane.
What is the SMILES notation for 2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane?
The canonical SMILES for 2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane is Fc1cc(F)c(C(Cl)C2CCCO2)c(F)c1.
What is the InChIKey of 2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane?
The InChIKey is NMIBMQUHFZARBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O/c12-11(9-2-1-3-16-9)10-7(14)4-6(13)5-8(10)15/h4-5,9,11H,1-3H2.
What are the key properties of 2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane?
2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane has a molecular weight of 250.65 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,4,6-trifluorophenyl)methyl]oxolane is sourced from PubChem (CID 61084332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).