3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran

C17H14F2O3 — CID 170052556

IUPAC3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran
SMILESFc1cccc2c1oc1c(F)c(CCC3OCCO3)ccc12
InChIInChI=1S/C17H14F2O3/c18-13-3-1-2-11-12-6-4-10(5-7-14-20-8-9-21-14)15(19)17(12)22-16(11)13/h1-4,6,14H,5,7-9H2
InChIKeyYRVQSSQRHUHBOM-UHFFFAOYSA-N
MW304.29 g/mol
LogP4.17
Rot. Bonds3

About 3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran

3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran (PubChem CID 170052556) has the molecular formula C17H14F2O3 and a molecular weight of 304.29 g/mol. Its IUPAC name is 3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran.

Molecular Properties

Compound Name3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran
PubChem CID170052556
Molecular FormulaC17H14F2O3
Molecular Weight304.29 g/mol
Exact Mass304.09
IUPAC Name3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran
SMILESFc1cccc2c1oc1c(F)c(CCC3OCCO3)ccc12
InChIInChI=1S/C17H14F2O3/c18-13-3-1-2-11-12-6-4-10(5-7-14-20-8-9-21-14)15(19)17(12)22-16(11)13/h1-4,6,14H,5,7-9H2
InChIKeyYRVQSSQRHUHBOM-UHFFFAOYSA-N
XLogP4.17
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran?
The IUPAC name of 3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran (CID 170052556) is 3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran.
What is the SMILES notation for 3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran?
The canonical SMILES for 3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran is Fc1cccc2c1oc1c(F)c(CCC3OCCO3)ccc12.
What is the InChIKey of 3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran?
The InChIKey is YRVQSSQRHUHBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O3/c18-13-3-1-2-11-12-6-4-10(5-7-14-20-8-9-21-14)15(19)17(12)22-16(11)13/h1-4,6,14H,5,7-9H2.
What are the key properties of 3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran?
3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran has a molecular weight of 304.29 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxolan-2-yl)ethyl]-4,6-difluorodibenzofuran is sourced from PubChem (CID 170052556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).