2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane

C12H11ClF2O2 — CID 11086522

IUPAC2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane
SMILESFC1(F)C(c2ccc(Cl)cc2)C1C1OCCO1
InChIInChI=1S/C12H11ClF2O2/c13-8-3-1-7(2-4-8)9-10(12(9,14)15)11-16-5-6-17-11/h1-4,9-11H,5-6H2
InChIKeyMDHCDWMDQLLLLF-UHFFFAOYSA-N
MW260.67 g/mol
LogP3.06
Rot. Bonds2

About 2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane

2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane (PubChem CID 11086522) has the molecular formula C12H11ClF2O2 and a molecular weight of 260.67 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane
PubChem CID11086522
Molecular FormulaC12H11ClF2O2
Molecular Weight260.67 g/mol
Exact Mass260.04
IUPAC Name2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane
SMILESFC1(F)C(c2ccc(Cl)cc2)C1C1OCCO1
InChIInChI=1S/C12H11ClF2O2/c13-8-3-1-7(2-4-8)9-10(12(9,14)15)11-16-5-6-17-11/h1-4,9-11H,5-6H2
InChIKeyMDHCDWMDQLLLLF-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane?
The IUPAC name of 2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane (CID 11086522) is 2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane is FC1(F)C(c2ccc(Cl)cc2)C1C1OCCO1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane?
The InChIKey is MDHCDWMDQLLLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2O2/c13-8-3-1-7(2-4-8)9-10(12(9,14)15)11-16-5-6-17-11/h1-4,9-11H,5-6H2.
What are the key properties of 2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane?
2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane has a molecular weight of 260.67 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-2,2-difluorocyclopropyl]-1,3-dioxolane is sourced from PubChem (CID 11086522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).