2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline

C12H7F3N2 — CID 137225245

IUPAC2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline
SMILESFC(F)(F)c1ccc2ccc3nccc3c2[nH]1
InChIInChI=1S/C12H7F3N2/c13-12(14,15)10-4-2-7-1-3-9-8(5-6-16-9)11(7)17-10/h1-6,17H
InChIKeyUTAJMBXXFWNYIJ-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.73
Rot. Bonds

About 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline

2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline (PubChem CID 137225245) has the molecular formula C12H7F3N2 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline
PubChem CID137225245
Molecular FormulaC12H7F3N2
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline
SMILESFC(F)(F)c1ccc2ccc3nccc3c2[nH]1
InChIInChI=1S/C12H7F3N2/c13-12(14,15)10-4-2-7-1-3-9-8(5-6-16-9)11(7)17-10/h1-6,17H
InChIKeyUTAJMBXXFWNYIJ-UHFFFAOYSA-N
XLogP3.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136271336
8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136645344
8-(difluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 137289635
2-(fluoromethyl)-1H-pyrrolo[2,3-h]quinoline
CID 141446873
6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 154132650
2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium
CID 174794836
3-(trifluoromethyl)-2H-indol-6-amine
CID 129601470
Tetrafluoroazoloquinoline
CID 137182743
Trifluoropyrroloquinoline
CID 137225246
2-Methylpyrroloquinoline
CID 137183816
2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile
CID 139641490
2-prop-2-enyl-1H-pyrrolo[2,3-h]quinoline
CID 140710850

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline?
The IUPAC name of 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline (CID 137225245) is 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline.
What is the SMILES notation for 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline?
The canonical SMILES for 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline is FC(F)(F)c1ccc2ccc3nccc3c2[nH]1.
What is the InChIKey of 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline?
The InChIKey is UTAJMBXXFWNYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2/c13-12(14,15)10-4-2-7-1-3-9-8(5-6-16-9)11(7)17-10/h1-6,17H.
What are the key properties of 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline?
2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline has a molecular weight of 236.20 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinoline is sourced from PubChem (CID 137225245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).