2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline

C11H4F4N2 — CID 137182743

IUPAC2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline
SMILESFc1[nH]c2c(c(F)cc3nccc32)c(F)c1F
InChIInChI=1S/C11H4F4N2/c12-5-3-6-4(1-2-16-6)10-7(5)8(13)9(14)11(15)17-10/h1-3,17H
InChIKeyKDTOACJBFSBGEJ-UHFFFAOYSA-N
MW240.16 g/mol
LogP3.27
Rot. Bonds

About 2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline

2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline (PubChem CID 137182743) has the molecular formula C11H4F4N2 and a molecular weight of 240.16 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline
PubChem CID137182743
Molecular FormulaC11H4F4N2
Molecular Weight240.16 g/mol
Exact Mass240.03
IUPAC Name2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline
SMILESFc1[nH]c2c(c(F)cc3nccc32)c(F)c1F
InChIInChI=1S/C11H4F4N2/c12-5-3-6-4(1-2-16-6)10-7(5)8(13)9(14)11(15)17-10/h1-3,17H
InChIKeyKDTOACJBFSBGEJ-UHFFFAOYSA-N
XLogP3.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7H-pyrrolo[3,2-f]quinoxaline
CID 135788037
Trifluoromethylpyrroloquinoline
CID 137225245
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
Trifluoropyrroloquinoline
CID 137225246
2-chloro-1H-pyrrolo[3,2-f]quinoxaline
CID 136438310
2-Methylpyrroloquinoline
CID 137183816
2-prop-2-enyl-1H-pyrrolo[2,3-h]quinoline
CID 140710850
2-chloro-1H-pyrrolo[2,3-h]quinoline
CID 152757444
2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium
CID 173252795
5,7-dimethyl-8H-pyrrolo[3,2-g]quinoline
CID 135802659

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline?
The IUPAC name of 2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline (CID 137182743) is 2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline.
What is the SMILES notation for 2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline?
The canonical SMILES for 2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline is Fc1[nH]c2c(c(F)cc3nccc32)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline?
The InChIKey is KDTOACJBFSBGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F4N2/c12-5-3-6-4(1-2-16-6)10-7(5)8(13)9(14)11(15)17-10/h1-3,17H.
What are the key properties of 2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline?
2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline has a molecular weight of 240.16 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-1H-pyrrolo[2,3-h]quinoline is sourced from PubChem (CID 137182743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).