2-[chloro-(3,4-difluorophenyl)methyl]oxolane

C11H11ClF2O — CID 61085802

IUPAC2-[chloro-(3,4-difluorophenyl)methyl]oxolane
SMILESFc1ccc(C(Cl)C2CCCO2)cc1F
InChIInChI=1S/C11H11ClF2O/c12-11(10-2-1-5-15-10)7-3-4-8(13)9(14)6-7/h3-4,6,10-11H,1-2,5H2
InChIKeyZCIMOXQPBXNTME-UHFFFAOYSA-N
MW232.66 g/mol
LogP3.42
Rot. Bonds2

About 2-[chloro-(3,4-difluorophenyl)methyl]oxolane

2-[chloro-(3,4-difluorophenyl)methyl]oxolane (PubChem CID 61085802) has the molecular formula C11H11ClF2O and a molecular weight of 232.66 g/mol. Its IUPAC name is 2-[chloro-(3,4-difluorophenyl)methyl]oxolane.

Molecular Properties

Compound Name2-[chloro-(3,4-difluorophenyl)methyl]oxolane
PubChem CID61085802
Molecular FormulaC11H11ClF2O
Molecular Weight232.66 g/mol
Exact Mass232.05
IUPAC Name2-[chloro-(3,4-difluorophenyl)methyl]oxolane
SMILESFc1ccc(C(Cl)C2CCCO2)cc1F
InChIInChI=1S/C11H11ClF2O/c12-11(10-2-1-5-15-10)7-3-4-8(13)9(14)6-7/h3-4,6,10-11H,1-2,5H2
InChIKeyZCIMOXQPBXNTME-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 53.42
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-(3,4-difluorophenyl)methyl]oxolane?
The IUPAC name of 2-[chloro-(3,4-difluorophenyl)methyl]oxolane (CID 61085802) is 2-[chloro-(3,4-difluorophenyl)methyl]oxolane.
What is the SMILES notation for 2-[chloro-(3,4-difluorophenyl)methyl]oxolane?
The canonical SMILES for 2-[chloro-(3,4-difluorophenyl)methyl]oxolane is Fc1ccc(C(Cl)C2CCCO2)cc1F.
What is the InChIKey of 2-[chloro-(3,4-difluorophenyl)methyl]oxolane?
The InChIKey is ZCIMOXQPBXNTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2O/c12-11(10-2-1-5-15-10)7-3-4-8(13)9(14)6-7/h3-4,6,10-11H,1-2,5H2.
What are the key properties of 2-[chloro-(3,4-difluorophenyl)methyl]oxolane?
2-[chloro-(3,4-difluorophenyl)methyl]oxolane has a molecular weight of 232.66 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3,4-difluorophenyl)methyl]oxolane is sourced from PubChem (CID 61085802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).