butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane

C11H12F5P — CID 22637866

IUPACbutyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCCCP(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H12F5P/c1-3-4-5-17(2)11-9(15)7(13)6(12)8(14)10(11)16/h3-5H2,1-2H3
InChIKeyLEWHZFAXVYCKIJ-UHFFFAOYSA-N
MW270.18 g/mol
LogP3.92
Rot. Bonds4

About butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane

butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 22637866) has the molecular formula C11H12F5P and a molecular weight of 270.18 g/mol. Its IUPAC name is butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Namebutyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID22637866
Molecular FormulaC11H12F5P
Molecular Weight270.18 g/mol
Exact Mass270.06
IUPAC Namebutyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCCCP(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H12F5P/c1-3-4-5-17(2)11-9(15)7(13)6(12)8(14)10(11)16/h3-5H2,1-2H3
InChIKeyLEWHZFAXVYCKIJ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 53.92
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-methyl-phenylphosphane
CID 14832966
ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane
CID 22637607
2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 141042722
butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide
CID 87556247
bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22925407
nickel;bis(tributylphosphane)
CID 50940317
gold;tributylphosphane
CID 88800341
azane;tributylphosphane
CID 87538509
ruthenium;tetrakis(tributylphosphane)
CID 137286049
nickel(2+);tributylphosphane
CID 161451777
1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22637718
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031

Frequently Asked Questions

What is the IUPAC name of butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane (CID 22637866) is butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane is CCCCP(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is LEWHZFAXVYCKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5P/c1-3-4-5-17(2)11-9(15)7(13)6(12)8(14)10(11)16/h3-5H2,1-2H3.
What are the key properties of butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane?
butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 270.18 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 22637866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).