(4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane

C11H10F2O2 — CID 102142401

IUPAC(4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane
SMILESC=C[C@@]1(c2ccc(F)cc2F)COCO1
InChIInChI=1S/C11H10F2O2/c1-2-11(6-14-7-15-11)9-4-3-8(12)5-10(9)13/h2-5H,1,6-7H2/t11-/m0/s1
InChIKeyNDSDRLBEUNETGZ-NSHDSACASA-N
MW212.19 g/mol
LogP2.35
Rot. Bonds2

About (4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane

(4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane (PubChem CID 102142401) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is (4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane
PubChem CID102142401
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name(4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane
SMILESC=C[C@@]1(c2ccc(F)cc2F)COCO1
InChIInChI=1S/C11H10F2O2/c1-2-11(6-14-7-15-11)9-4-3-8(12)5-10(9)13/h2-5H,1,6-7H2/t11-/m0/s1
InChIKeyNDSDRLBEUNETGZ-NSHDSACASA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane?
The IUPAC name of (4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane (CID 102142401) is (4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane is C=C[C@@]1(c2ccc(F)cc2F)COCO1.
What is the InChIKey of (4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane?
The InChIKey is NDSDRLBEUNETGZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H10F2O2/c1-2-11(6-14-7-15-11)9-4-3-8(12)5-10(9)13/h2-5H,1,6-7H2/t11-/m0/s1.
What are the key properties of (4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane?
(4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane has a molecular weight of 212.19 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-difluorophenyl)-4-ethenyl-1,3-dioxolane is sourced from PubChem (CID 102142401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).