tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride

C16H38F3P — CID 14950742

IUPACtetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride
SMILESCCCCP(F)(CCCC)(CCCC)CCCC.F.F
InChIInChI=1S/C16H36FP.2FH/c1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H
InChIKeyVYPJQCWOJZVJEZ-UHFFFAOYSA-N
MW318.45 g/mol
LogP6.93
Rot. Bonds12

About tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride

tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride (PubChem CID 14950742) has the molecular formula C16H38F3P and a molecular weight of 318.45 g/mol. Its IUPAC name is tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride.

Molecular Properties

Compound Nametetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride
PubChem CID14950742
Molecular FormulaC16H38F3P
Molecular Weight318.45 g/mol
Exact Mass318.27
IUPAC Nametetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride
SMILESCCCCP(F)(CCCC)(CCCC)CCCC.F.F
InChIInChI=1S/C16H36FP.2FH/c1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H
InChIKeyVYPJQCWOJZVJEZ-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecyl-fluoro-tripropyl-λ5-phosphane
CID 141204529
tetrabutyl-(tetrabutyl-λ5-phosphanyl)-λ5-phosphane
CID 173272787
ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate
CID 141475326
molecular hydrogen;pentane
CID 173460731
butyl-trihydroxy-methyl-λ5-phosphane
CID 87283068
bromo-dibutyl-dipentyl-λ5-phosphane
CID 140528033
hydroxysilane;tetrabutyl(hydroxy)-λ5-phosphane
CID 160702804
dibutyl-chloro-dipropyl-λ5-phosphane
CID 140527658
sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride
CID 173127559
butyl-triethyl-iodo-λ5-phosphane
CID 140527989
tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane
CID 11727878
1-fluoropentane;hydrofluoride
CID 159001340

Frequently Asked Questions

What is the IUPAC name of tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride?
The IUPAC name of tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride (CID 14950742) is tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride.
What is the SMILES notation for tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride?
The canonical SMILES for tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride is CCCCP(F)(CCCC)(CCCC)CCCC.F.F.
What is the InChIKey of tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride?
The InChIKey is VYPJQCWOJZVJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36FP.2FH/c1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H.
What are the key properties of tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride?
tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride has a molecular weight of 318.45 g/mol, XLogP of 6.93, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride is sourced from PubChem (CID 14950742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).