3-(1,3-dioxolan-2-yl)-2,4-difluorophenol

C9H8F2O3 — CID 21063809

IUPAC3-(1,3-dioxolan-2-yl)-2,4-difluorophenol
SMILESOc1ccc(F)c(C2OCCO2)c1F
InChIInChI=1S/C9H8F2O3/c10-5-1-2-6(12)8(11)7(5)9-13-3-4-14-9/h1-2,9,12H,3-4H2
InChIKeyIKRLLJALUBDUHQ-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.72
Rot. Bonds1

About 3-(1,3-dioxolan-2-yl)-2,4-difluorophenol

3-(1,3-dioxolan-2-yl)-2,4-difluorophenol (PubChem CID 21063809) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-2,4-difluorophenol.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-2,4-difluorophenol
PubChem CID21063809
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name3-(1,3-dioxolan-2-yl)-2,4-difluorophenol
SMILESOc1ccc(F)c(C2OCCO2)c1F
InChIInChI=1S/C9H8F2O3/c10-5-1-2-6(12)8(11)7(5)9-13-3-4-14-9/h1-2,9,12H,3-4H2
InChIKeyIKRLLJALUBDUHQ-UHFFFAOYSA-N
XLogP1.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-2,4-difluorophenol?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-2,4-difluorophenol (CID 21063809) is 3-(1,3-dioxolan-2-yl)-2,4-difluorophenol.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-2,4-difluorophenol?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-2,4-difluorophenol is Oc1ccc(F)c(C2OCCO2)c1F.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-2,4-difluorophenol?
The InChIKey is IKRLLJALUBDUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c10-5-1-2-6(12)8(11)7(5)9-13-3-4-14-9/h1-2,9,12H,3-4H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-2,4-difluorophenol?
3-(1,3-dioxolan-2-yl)-2,4-difluorophenol has a molecular weight of 202.16 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-2,4-difluorophenol is sourced from PubChem (CID 21063809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).