4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline

C18H16F4N2 — CID 59322886

IUPAC4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
SMILESFc1ccc(C2Nc3ccc(C(F)(F)F)cc3C3NCCC23)cc1
InChIInChI=1S/C18H16F4N2/c19-12-4-1-10(2-5-12)16-13-7-8-23-17(13)14-9-11(18(20,21)22)3-6-15(14)24-16/h1-6,9,13,16-17,23-24H,7-8H2
InChIKeyXIULWBVYLYPXSP-UHFFFAOYSA-N
MW336.33 g/mol
LogP4.66
Rot. Bonds1

About 4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline

4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline (PubChem CID 59322886) has the molecular formula C18H16F4N2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
PubChem CID59322886
Molecular FormulaC18H16F4N2
Molecular Weight336.33 g/mol
Exact Mass336.12
IUPAC Name4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
SMILESFc1ccc(C2Nc3ccc(C(F)(F)F)cc3C3NCCC23)cc1
InChIInChI=1S/C18H16F4N2/c19-12-4-1-10(2-5-12)16-13-7-8-23-17(13)14-9-11(18(20,21)22)3-6-15(14)24-16/h1-6,9,13,16-17,23-24H,7-8H2
InChIKeyXIULWBVYLYPXSP-UHFFFAOYSA-N
XLogP4.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline?
The IUPAC name of 4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline (CID 59322886) is 4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline.
What is the SMILES notation for 4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline?
The canonical SMILES for 4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline is Fc1ccc(C2Nc3ccc(C(F)(F)F)cc3C3NCCC23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline?
The InChIKey is XIULWBVYLYPXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2/c19-12-4-1-10(2-5-12)16-13-7-8-23-17(13)14-9-11(18(20,21)22)3-6-15(14)24-16/h1-6,9,13,16-17,23-24H,7-8H2.
What are the key properties of 4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline?
4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline has a molecular weight of 336.33 g/mol, XLogP of 4.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline is sourced from PubChem (CID 59322886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).