8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline

C9H3ClF2N2O2 — CID 154727170

IUPAC8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline
SMILESFC1(F)Oc2cc3ncnc(Cl)c3cc2O1
InChIInChI=1S/C9H3ClF2N2O2/c10-8-4-1-6-7(16-9(11,12)15-6)2-5(4)13-3-14-8/h1-3H
InChIKeyGLGPWSRJLYZZFD-UHFFFAOYSA-N
MW244.58 g/mol
LogP2.60
Rot. Bonds

About 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline

8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline (PubChem CID 154727170) has the molecular formula C9H3ClF2N2O2 and a molecular weight of 244.58 g/mol. Its IUPAC name is 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline.

Molecular Properties

Compound Name8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline
PubChem CID154727170
Molecular FormulaC9H3ClF2N2O2
Molecular Weight244.58 g/mol
Exact Mass243.99
IUPAC Name8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline
SMILESFC1(F)Oc2cc3ncnc(Cl)c3cc2O1
InChIInChI=1S/C9H3ClF2N2O2/c10-8-4-1-6-7(16-9(11,12)15-6)2-5(4)13-3-14-8/h1-3H
InChIKeyGLGPWSRJLYZZFD-UHFFFAOYSA-N
XLogP2.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.58
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline?
The IUPAC name of 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline (CID 154727170) is 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline.
What is the SMILES notation for 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline?
The canonical SMILES for 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline is FC1(F)Oc2cc3ncnc(Cl)c3cc2O1.
What is the InChIKey of 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline?
The InChIKey is GLGPWSRJLYZZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF2N2O2/c10-8-4-1-6-7(16-9(11,12)15-6)2-5(4)13-3-14-8/h1-3H.
What are the key properties of 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline?
8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline has a molecular weight of 244.58 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinazoline is sourced from PubChem (CID 154727170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).