(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium

C14H17F7P+ — CID 23123698

IUPAC(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium
SMILESCCCC(C)C[PH+](c1cc(F)ccc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F7P/c1-3-4-9(2)8-22(14(20,21)13(17,18)19)12-7-10(15)5-6-11(12)16/h5-7,9H,3-4,8H2,1-2H3/p+1
InChIKeyASMHALZDXAWVQZ-UHFFFAOYSA-O
MW349.25 g/mol
LogP5.40
Rot. Bonds6

About (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium

(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium (PubChem CID 23123698) has the molecular formula C14H17F7P+ and a molecular weight of 349.25 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium
PubChem CID23123698
Molecular FormulaC14H17F7P+
Molecular Weight349.25 g/mol
Exact Mass349.10
IUPAC Name(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium
SMILESCCCC(C)C[PH+](c1cc(F)ccc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F7P/c1-3-4-9(2)8-22(14(20,21)13(17,18)19)12-7-10(15)5-6-11(12)16/h5-7,9H,3-4,8H2,1-2H3/p+1
InChIKeyASMHALZDXAWVQZ-UHFFFAOYSA-O
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.25
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide
CID 22637937
N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline
CID 22638194
(2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium
CID 23123032
(2,5-difluorophenyl)-(3-ethylheptyl)-propylphosphanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637796
1,2-difluoro-4-(2-methylpentyl)benzene
CID 143267689
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
(4-fluoro-2-pentan-2-ylphenyl)phosphane
CID 174672226
2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one
CID 43160551
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618
1-(2-fluoro-4-methylphenyl)-2-methylpentan-1-one
CID 107891346
1-fluoro-2-methyl-4-(2-methylpentyl)benzene
CID 143267587

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium?
The IUPAC name of (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium (CID 23123698) is (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium.
What is the SMILES notation for (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium?
The canonical SMILES for (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium is CCCC(C)C[PH+](c1cc(F)ccc1F)C(F)(F)C(F)(F)F.
What is the InChIKey of (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium?
The InChIKey is ASMHALZDXAWVQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16F7P/c1-3-4-9(2)8-22(14(20,21)13(17,18)19)12-7-10(15)5-6-11(12)16/h5-7,9H,3-4,8H2,1-2H3/p+1.
What are the key properties of (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium?
(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium has a molecular weight of 349.25 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium is sourced from PubChem (CID 23123698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).