butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium

C12H16F4P+ — CID 23123044

IUPACbutyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium
SMILESCCCC[PH+](CC)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C12H15F4P/c1-3-5-6-17(4-2)9-7-8(13)10(14)12(16)11(9)15/h7H,3-6H2,1-2H3/p+1
InChIKeyUPFHMCGIYJKBDN-UHFFFAOYSA-O
MW267.23 g/mol
LogP3.90
Rot. Bonds5

About butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium

butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium (PubChem CID 23123044) has the molecular formula C12H16F4P+ and a molecular weight of 267.23 g/mol. Its IUPAC name is butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium.

Molecular Properties

Compound Namebutyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium
PubChem CID23123044
Molecular FormulaC12H16F4P+
Molecular Weight267.23 g/mol
Exact Mass267.09
IUPAC Namebutyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium
SMILESCCCC[PH+](CC)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C12H15F4P/c1-3-5-6-17(4-2)9-7-8(13)10(14)12(16)11(9)15/h7H,3-6H2,1-2H3/p+1
InChIKeyUPFHMCGIYJKBDN-UHFFFAOYSA-O
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 53.90
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide
CID 22637807
ethyl-hexyl-[2,4,5-trifluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]phosphanium;tetrakis(1,1,2,2,3,3-hexafluorononyl)boranuide
CID 22637727
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
CID 172801487
CID 172801487
(2,3,4,5-tetrafluorophenyl) pentanoate
CID 174399623
1,2,3,5-tetrafluoro-4-propylbenzene
CID 88575988
propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858
(5-ethyl-2-methyloctyl)-hexyl-[2,4,5-trifluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]phosphanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637794
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
3-dodecylsulfanyl-1,2,4,5-tetrafluorobenzene
CID 58436006

Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium?
The IUPAC name of butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium (CID 23123044) is butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium.
What is the SMILES notation for butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium?
The canonical SMILES for butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium is CCCC[PH+](CC)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium?
The InChIKey is UPFHMCGIYJKBDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15F4P/c1-3-5-6-17(4-2)9-7-8(13)10(14)12(16)11(9)15/h7H,3-6H2,1-2H3/p+1.
What are the key properties of butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium?
butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium has a molecular weight of 267.23 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium is sourced from PubChem (CID 23123044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).