methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene

C12H18F4N2 — CID 174760536

IUPACmethane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene
SMILESC.CN1CCNCC1.Fc1ccc(F)c(F)c1F
InChIInChI=1S/C6H2F4.C5H12N2.CH4/c7-3-1-2-4(8)6(10)5(3)9;1-7-4-2-6-3-5-7;/h1-2H;6H,2-5H2,1H3;1H4
InChIKeyFLOKSJXKPTWCPU-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.40
Rot. Bonds

About methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene

methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene (PubChem CID 174760536) has the molecular formula C12H18F4N2 and a molecular weight of 266.28 g/mol. Its IUPAC name is methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene.

Molecular Properties

Compound Namemethane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene
PubChem CID174760536
Molecular FormulaC12H18F4N2
Molecular Weight266.28 g/mol
Exact Mass266.14
IUPAC Namemethane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene
SMILESC.CN1CCNCC1.Fc1ccc(F)c(F)c1F
InChIInChI=1S/C6H2F4.C5H12N2.CH4/c7-3-1-2-4(8)6(10)5(3)9;1-7-4-2-6-3-5-7;/h1-2H;6H,2-5H2,1H3;1H4
InChIKeyFLOKSJXKPTWCPU-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethane;methane;1-methylpiperazine
CID 142051303
1-(2,3,4-trifluorophenyl)piperazine;hydrochloride
CID 90330803
alumane;1-methylpiperazine
CID 173336720
ethane;1-methylpiperazine
CID 91350928
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
1-methylpiperazine;dihydrochloride
CID 2734715
1-methylpiperazine;hydrate
CID 23128681
1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine
CID 82478371
cyclopropane;1-methylpiperazine
CID 166166790
potassium;hydride;1-methylpiperazine
CID 174652278
1-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]piperazine
CID 171169947

Frequently Asked Questions

What is the IUPAC name of methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene?
The IUPAC name of methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene (CID 174760536) is methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene.
What is the SMILES notation for methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene?
The canonical SMILES for methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene is C.CN1CCNCC1.Fc1ccc(F)c(F)c1F.
What is the InChIKey of methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene?
The InChIKey is FLOKSJXKPTWCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4.C5H12N2.CH4/c7-3-1-2-4(8)6(10)5(3)9;1-7-4-2-6-3-5-7;/h1-2H;6H,2-5H2,1H3;1H4.
What are the key properties of methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene?
methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene has a molecular weight of 266.28 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene is sourced from PubChem (CID 174760536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).