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

C14H14F4N3+ — CID 7006509

IUPAC8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
SMILESFc1cccc2c(N3CC[NH2+]CC3)cc(C(F)(F)F)nc12
InChIInChI=1S/C14H13F4N3/c15-10-3-1-2-9-11(21-6-4-19-5-7-21)8-12(14(16,17)18)20-13(9)10/h1-3,8,19H,4-7H2/p+1
InChIKeyJPOBXWMBLUOGGO-UHFFFAOYSA-O
MW300.28 g/mol
LogP1.78
Rot. Bonds1

About 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline

8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline (PubChem CID 7006509) has the molecular formula C14H14F4N3+ and a molecular weight of 300.28 g/mol. Its IUPAC name is 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
PubChem CID7006509
Molecular FormulaC14H14F4N3+
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
SMILESFc1cccc2c(N3CC[NH2+]CC3)cc(C(F)(F)F)nc12
InChIInChI=1S/C14H13F4N3/c15-10-3-1-2-9-11(21-6-4-19-5-7-21)8-12(14(16,17)18)20-13(9)10/h1-3,8,19H,4-7H2/p+1
InChIKeyJPOBXWMBLUOGGO-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

8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
CID 2774821
4-(1,4-diazepan-1-yl)-8-fluoro-2-(trifluoromethyl)quinoline
CID 2774817
6-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
CID 7006504
4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine
CID 16728105
6-bromo-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
CID 7006503
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline
CID 2823567
1-(2,4-difluorophenyl)piperazin-4-ium
CID 7004236
4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
CID 136548281
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline
CID 2822622
8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133388826
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
CID 133369048

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline?
The IUPAC name of 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline (CID 7006509) is 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline is Fc1cccc2c(N3CC[NH2+]CC3)cc(C(F)(F)F)nc12.
What is the InChIKey of 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline?
The InChIKey is JPOBXWMBLUOGGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13F4N3/c15-10-3-1-2-9-11(21-6-4-19-5-7-21)8-12(14(16,17)18)20-13(9)10/h1-3,8,19H,4-7H2/p+1.
What are the key properties of 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline?
8-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 8-fluoro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 7006509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).