dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium

C16H10F10N+ — CID 102098933

IUPACdimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium
SMILESC[N+](C)(Cc1c(F)c(F)c(F)c(F)c1F)Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H10F10N/c1-27(2,3-5-7(17)11(21)15(25)12(22)8(5)18)4-6-9(19)13(23)16(26)14(24)10(6)20/h3-4H2,1-2H3/q+1
InChIKeyLOGIVJQUBRTBKF-UHFFFAOYSA-N
MW406.24 g/mol
LogP4.85
Rot. Bonds4

About dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium

dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium (PubChem CID 102098933) has the molecular formula C16H10F10N+ and a molecular weight of 406.24 g/mol. Its IUPAC name is dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium.

Molecular Properties

Compound Namedimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium
PubChem CID102098933
Molecular FormulaC16H10F10N+
Molecular Weight406.24 g/mol
Exact Mass406.06
IUPAC Namedimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium
SMILESC[N+](C)(Cc1c(F)c(F)c(F)c(F)c1F)Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H10F10N/c1-27(2,3-5-7(17)11(21)15(25)12(22)8(5)18)4-6-9(19)13(23)16(26)14(24)10(6)20/h3-4H2,1-2H3/q+1
InChIKeyLOGIVJQUBRTBKF-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

butane;(2,3,4,5,6-pentafluorophenyl)methanamine
CID 175415233
dimethyl-bis[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]azanium
CID 155656975
1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene
CID 12954709
CID 87533777
CID 87533777
1-(ethylsulfanylmethyl)-2,3,4,5,6-pentafluorobenzene
CID 87154343
1,2,3,4,5-pentafluoro-6-(3-methylbut-2-enyl)benzene
CID 11253334
1,2,3,4,5-pentafluoro-6-(methylperoxymethyl)benzene
CID 58861663
N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 101404764
1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotriphenylene
CID 12871319
2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene
CID 58827575
1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 162052100
[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol
CID 4098835

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium?
The IUPAC name of dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium (CID 102098933) is dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium.
What is the SMILES notation for dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium?
The canonical SMILES for dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium is C[N+](C)(Cc1c(F)c(F)c(F)c(F)c1F)Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium?
The InChIKey is LOGIVJQUBRTBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F10N/c1-27(2,3-5-7(17)11(21)15(25)12(22)8(5)18)4-6-9(19)13(23)16(26)14(24)10(6)20/h3-4H2,1-2H3/q+1.
What are the key properties of dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium?
dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium has a molecular weight of 406.24 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium is sourced from PubChem (CID 102098933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).