8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline

C12H10F2N2 — CID 153411019

IUPAC8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline
SMILESFC(F)C1=CC2=CC=CC3=CCNC23N=C1
InChIInChI=1S/C12H10F2N2/c13-11(14)8-6-10-3-1-2-9-4-5-15-12(9,10)16-7-8/h1-4,6-7,11,15H,5H2
InChIKeyJKBVDAVCCASNQG-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.98
Rot. Bonds1

About 8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline

8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline (PubChem CID 153411019) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline.

Molecular Properties

Compound Name8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline
PubChem CID153411019
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline
SMILESFC(F)C1=CC2=CC=CC3=CCNC23N=C1
InChIInChI=1S/C12H10F2N2/c13-11(14)8-6-10-3-1-2-9-4-5-15-12(9,10)16-7-8/h1-4,6-7,11,15H,5H2
InChIKeyJKBVDAVCCASNQG-UHFFFAOYSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline?
The IUPAC name of 8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline (CID 153411019) is 8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline.
What is the SMILES notation for 8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline?
The canonical SMILES for 8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline is FC(F)C1=CC2=CC=CC3=CCNC23N=C1.
What is the InChIKey of 8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline?
The InChIKey is JKBVDAVCCASNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c13-11(14)8-6-10-3-1-2-9-4-5-15-12(9,10)16-7-8/h1-4,6-7,11,15H,5H2.
What are the key properties of 8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline?
8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline has a molecular weight of 220.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-1,2-dihydropyrrolo[3,2-i]quinoline is sourced from PubChem (CID 153411019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).