diethyl-methyl-(trifluoromethyl)phosphanium

C6H13F3P+ — CID 58705067

IUPACdiethyl-methyl-(trifluoromethyl)phosphanium
SMILESCC[P+](C)(CC)C(F)(F)F
InChIInChI=1S/C6H13F3P/c1-4-10(3,5-2)6(7,8)9/h4-5H2,1-3H3/q+1
InChIKeyUDJONTKYEOOUHI-UHFFFAOYSA-N
MW173.14 g/mol
LogP3.19
Rot. Bonds2

About diethyl-methyl-(trifluoromethyl)phosphanium

diethyl-methyl-(trifluoromethyl)phosphanium (PubChem CID 58705067) has the molecular formula C6H13F3P+ and a molecular weight of 173.14 g/mol. Its IUPAC name is diethyl-methyl-(trifluoromethyl)phosphanium.

Molecular Properties

Compound Namediethyl-methyl-(trifluoromethyl)phosphanium
PubChem CID58705067
Molecular FormulaC6H13F3P+
Molecular Weight173.14 g/mol
Exact Mass173.07
IUPAC Namediethyl-methyl-(trifluoromethyl)phosphanium
SMILESCC[P+](C)(CC)C(F)(F)F
InChIInChI=1S/C6H13F3P/c1-4-10(3,5-2)6(7,8)9/h4-5H2,1-3H3/q+1
InChIKeyUDJONTKYEOOUHI-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 53.19
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

Ethylbis(trifluoromethyl)phosphine
CID 12092305
Dimethyl(3,3,3-trifluoropropyl)phosphane
CID 12844542
Difluoromethyl(diethyl)phosphane
CID 13760734
Trimethyl(2,2,2-trifluoroethyl)phosphanium
CID 20802391
Triethyl(trifluoromethyl)phosphanium
CID 21062502
Butyl(trifluoromethyl)phosphane
CID 21096689
Propyl(trifluoromethyl)phosphane
CID 21096795
Tris(2-fluoroethyl)phosphane
CID 21317796
(2-Dimethylphosphanyl-1,1-difluoroethyl)-dimethylphosphane
CID 21732289
1,1-Difluoroethyl(dimethyl)phosphane
CID 23235763
2-Fluoroethyl(dimethyl)phosphane
CID 23235764
Methyl(3,3,3-trifluoropropyl)phosphane
CID 87438485

Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-(trifluoromethyl)phosphanium?
The IUPAC name of diethyl-methyl-(trifluoromethyl)phosphanium (CID 58705067) is diethyl-methyl-(trifluoromethyl)phosphanium.
What is the SMILES notation for diethyl-methyl-(trifluoromethyl)phosphanium?
The canonical SMILES for diethyl-methyl-(trifluoromethyl)phosphanium is CC[P+](C)(CC)C(F)(F)F.
What is the InChIKey of diethyl-methyl-(trifluoromethyl)phosphanium?
The InChIKey is UDJONTKYEOOUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3P/c1-4-10(3,5-2)6(7,8)9/h4-5H2,1-3H3/q+1.
What are the key properties of diethyl-methyl-(trifluoromethyl)phosphanium?
diethyl-methyl-(trifluoromethyl)phosphanium has a molecular weight of 173.14 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(trifluoromethyl)phosphanium is sourced from PubChem (CID 58705067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).