trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium

C10H13F3P+ — CID 89412455

IUPACtrifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium
SMILESCC(C)c1ccc(C[P+](F)(F)F)cc1
InChIInChI=1S/C10H13F3P/c1-8(2)10-5-3-9(4-6-10)7-14(11,12)13/h3-6,8H,7H2,1-2H3/q+1
InChIKeyAMSMRNUROJMEFT-UHFFFAOYSA-N
MW221.18 g/mol
LogP4.98
Rot. Bonds3

About trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium

trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium (PubChem CID 89412455) has the molecular formula C10H13F3P+ and a molecular weight of 221.18 g/mol. Its IUPAC name is trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium.

Molecular Properties

Compound Nametrifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium
PubChem CID89412455
Molecular FormulaC10H13F3P+
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Nametrifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium
SMILESCC(C)c1ccc(C[P+](F)(F)F)cc1
InChIInChI=1S/C10H13F3P/c1-8(2)10-5-3-9(4-6-10)7-14(11,12)13/h3-6,8H,7H2,1-2H3/q+1
InChIKeyAMSMRNUROJMEFT-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene
CID 58964096
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
CID 175927107
CID 175927107
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-(iodomethyl)-4-propan-2-ylbenzene
CID 21326811
1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride
CID 174326985
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene
CID 177076550
1-(3-bromo-2-methylpropyl)-4-propan-2-ylbenzene
CID 64670401
3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82092276
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium?
The IUPAC name of trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium (CID 89412455) is trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium.
What is the SMILES notation for trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium?
The canonical SMILES for trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium is CC(C)c1ccc(C[P+](F)(F)F)cc1.
What is the InChIKey of trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium?
The InChIKey is AMSMRNUROJMEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3P/c1-8(2)10-5-3-9(4-6-10)7-14(11,12)13/h3-6,8H,7H2,1-2H3/q+1.
What are the key properties of trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium?
trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium has a molecular weight of 221.18 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium is sourced from PubChem (CID 89412455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).