tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate

C18H30F3O2P — CID 70545717

IUPACtricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate
SMILESC[P+](C1CCCC1)(C1CCCC1)C1CCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C16H30P.C2HF3O2/c1-17(14-8-2-3-9-14,15-10-4-5-11-15)16-12-6-7-13-16;3-2(4,5)1(6)7/h14-16H,2-13H2,1H3;(H,6,7)/q+1;/p-1
InChIKeyQKBYFFTWMHRKCH-UHFFFAOYSA-M
MW366.40 g/mol
LogP4.76
Rot. Bonds3

About tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate

tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate (PubChem CID 70545717) has the molecular formula C18H30F3O2P and a molecular weight of 366.40 g/mol. Its IUPAC name is tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Nametricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate
PubChem CID70545717
Molecular FormulaC18H30F3O2P
Molecular Weight366.40 g/mol
Exact Mass366.19
IUPAC Nametricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate
SMILESC[P+](C1CCCC1)(C1CCCC1)C1CCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C16H30P.C2HF3O2/c1-17(14-8-2-3-9-14,15-10-4-5-11-15)16-12-6-7-13-16;3-2(4,5)1(6)7/h14-16H,2-13H2,1H3;(H,6,7)/q+1;/p-1
InChIKeyQKBYFFTWMHRKCH-UHFFFAOYSA-M
XLogP4.76
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate?
The IUPAC name of tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate (CID 70545717) is tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate.
What is the SMILES notation for tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate?
The canonical SMILES for tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate is C[P+](C1CCCC1)(C1CCCC1)C1CCCC1.O=C([O-])C(F)(F)F.
What is the InChIKey of tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate?
The InChIKey is QKBYFFTWMHRKCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H30P.C2HF3O2/c1-17(14-8-2-3-9-14,15-10-4-5-11-15)16-12-6-7-13-16;3-2(4,5)1(6)7/h14-16H,2-13H2,1H3;(H,6,7)/q+1;/p-1.
What are the key properties of tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate?
tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate has a molecular weight of 366.40 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 70545717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).