6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline

C14H14F4N3+ — CID 7006504

IUPAC6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
SMILESFc1ccc2nc(C(F)(F)F)cc(N3CC[NH2+]CC3)c2c1
InChIInChI=1S/C14H13F4N3/c15-9-1-2-11-10(7-9)12(21-5-3-19-4-6-21)8-13(20-11)14(16,17)18/h1-2,7-8,19H,3-6H2/p+1
InChIKeyBKCFCNMZVVAKBJ-UHFFFAOYSA-O
MW300.28 g/mol
LogP1.78
Rot. Bonds1

About 6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline

6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline (PubChem CID 7006504) has the molecular formula C14H14F4N3+ and a molecular weight of 300.28 g/mol. Its IUPAC name is 6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
PubChem CID7006504
Molecular FormulaC14H14F4N3+
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
SMILESFc1ccc2nc(C(F)(F)F)cc(N3CC[NH2+]CC3)c2c1
InChIInChI=1S/C14H13F4N3/c15-9-1-2-11-10(7-9)12(21-5-3-19-4-6-21)8-13(20-11)14(16,17)18/h1-2,7-8,19H,3-6H2/p+1
InChIKeyBKCFCNMZVVAKBJ-UHFFFAOYSA-O
XLogP1.78
TPSA32.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
CID 7006503
4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
CID 21029579
1-(2,4-difluorophenyl)piperazin-4-ium
CID 7004236
4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline
CID 130246716
2-methyl-4-piperazin-4-ium-1-ylquinoline-6-carboxylic acid
CID 7137891
6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline
CID 133368681
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline
CID 2822622
8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
CID 2774821
6-fluoro-2-(trifluoromethyl)quinoline
CID 11074775
6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
CID 133458892
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
5-[4-(6-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133368174

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline (CID 7006504) is 6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline is Fc1ccc2nc(C(F)(F)F)cc(N3CC[NH2+]CC3)c2c1.
What is the InChIKey of 6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline?
The InChIKey is BKCFCNMZVVAKBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13F4N3/c15-9-1-2-11-10(7-9)12(21-5-3-19-4-6-21)8-13(20-11)14(16,17)18/h1-2,7-8,19H,3-6H2/p+1.
What are the key properties of 6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline?
6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline has a molecular weight of 300.28 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 7006504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).