6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline

C11H10F2N2 — CID 67740346

IUPAC6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
SMILESFc1cc(F)c2c(c1)=NC1CCCN1C=2
InChIInChI=1S/C11H10F2N2/c12-7-4-9(13)8-6-15-3-1-2-11(15)14-10(8)5-7/h4-6,11H,1-3H2
InChIKeyPYIMTMGYHJGAEG-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.76
Rot. Bonds

About 6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline

6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline (PubChem CID 67740346) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline.

Molecular Properties

Compound Name6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
PubChem CID67740346
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
SMILESFc1cc(F)c2c(c1)=NC1CCCN1C=2
InChIInChI=1S/C11H10F2N2/c12-7-4-9(13)8-6-15-3-1-2-11(15)14-10(8)5-7/h4-6,11H,1-3H2
InChIKeyPYIMTMGYHJGAEG-UHFFFAOYSA-N
XLogP0.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
The IUPAC name of 6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline (CID 67740346) is 6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline.
What is the SMILES notation for 6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
The canonical SMILES for 6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline is Fc1cc(F)c2c(c1)=NC1CCCN1C=2.
What is the InChIKey of 6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
The InChIKey is PYIMTMGYHJGAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c12-7-4-9(13)8-6-15-3-1-2-11(15)14-10(8)5-7/h4-6,11H,1-3H2.
What are the key properties of 6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline has a molecular weight of 208.21 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline is sourced from PubChem (CID 67740346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).