6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline

C13H6F6N2 — CID 154132650

IUPAC6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc3ccnc3c2[nH]1
InChIInChI=1S/C13H6F6N2/c14-12(15,16)8-5-9(13(17,18)19)21-11-7(8)2-1-6-3-4-20-10(6)11/h1-5,21H
InChIKeyXCLDPFFRXNKDHL-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.75
Rot. Bonds

About 6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline

6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline (PubChem CID 154132650) has the molecular formula C13H6F6N2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline.

Molecular Properties

Compound Name6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
PubChem CID154132650
Molecular FormulaC13H6F6N2
Molecular Weight304.19 g/mol
Exact Mass304.04
IUPAC Name6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc3ccnc3c2[nH]1
InChIInChI=1S/C13H6F6N2/c14-12(15,16)8-5-9(13(17,18)19)21-11-7(8)2-1-6-3-4-20-10(6)11/h1-5,21H
InChIKeyXCLDPFFRXNKDHL-UHFFFAOYSA-N
XLogP4.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Trifluoromethylpyrroloquinoline
CID 137225245
8-(difluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 137289635
8-(fluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 142393205
8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline
CID 142393365
2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium
CID 174794836
Tetrafluoroazoloquinoline
CID 137182743
6,8-dimethyl-9H-pyrrolo[3,2-h]quinoline
CID 135523687
6,8-dimethyl-5H-pyrrolo[2,3-g]quinoline
CID 135802660

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The IUPAC name of 6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline (CID 154132650) is 6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline.
What is the SMILES notation for 6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The canonical SMILES for 6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline is FC(F)(F)c1cc(C(F)(F)F)c2ccc3ccnc3c2[nH]1.
What is the InChIKey of 6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The InChIKey is XCLDPFFRXNKDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N2/c14-12(15,16)8-5-9(13(17,18)19)21-11-7(8)2-1-6-3-4-20-10(6)11/h1-5,21H.
What are the key properties of 6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline has a molecular weight of 304.19 g/mol, XLogP of 4.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline is sourced from PubChem (CID 154132650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).