2-[4-(difluoromethyl)phenyl]-1,3-dioxolane

C10H10F2O2 — CID 138980395

IUPAC2-[4-(difluoromethyl)phenyl]-1,3-dioxolane
SMILESFC(F)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H10F2O2/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,9-10H,5-6H2
InChIKeyBESKPXFFRLTIQV-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.67
Rot. Bonds2

About 2-[4-(difluoromethyl)phenyl]-1,3-dioxolane

2-[4-(difluoromethyl)phenyl]-1,3-dioxolane (PubChem CID 138980395) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-1,3-dioxolane
PubChem CID138980395
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2-[4-(difluoromethyl)phenyl]-1,3-dioxolane
SMILESFC(F)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H10F2O2/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,9-10H,5-6H2
InChIKeyBESKPXFFRLTIQV-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-1,3-dioxolane (CID 138980395) is 2-[4-(difluoromethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-1,3-dioxolane is FC(F)c1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-1,3-dioxolane?
The InChIKey is BESKPXFFRLTIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,9-10H,5-6H2.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-1,3-dioxolane?
2-[4-(difluoromethyl)phenyl]-1,3-dioxolane has a molecular weight of 200.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 138980395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).