tris(1-fluorobutyl)phosphane

C12H24F3P — CID 87612447

IUPACtris(1-fluorobutyl)phosphane
SMILESCCCC(F)P(C(F)CCC)C(F)CCC
InChIInChI=1S/C12H24F3P/c1-4-7-10(13)16(11(14)8-5-2)12(15)9-6-3/h10-12H,4-9H2,1-3H3
InChIKeyZQSHVAUPZPFXNX-UHFFFAOYSA-N
MW256.29 g/mol
LogP5.76
Rot. Bonds9

About tris(1-fluorobutyl)phosphane

tris(1-fluorobutyl)phosphane (PubChem CID 87612447) has the molecular formula C12H24F3P and a molecular weight of 256.29 g/mol. Its IUPAC name is tris(1-fluorobutyl)phosphane.

Molecular Properties

Compound Nametris(1-fluorobutyl)phosphane
PubChem CID87612447
Molecular FormulaC12H24F3P
Molecular Weight256.29 g/mol
Exact Mass256.16
IUPAC Nametris(1-fluorobutyl)phosphane
SMILESCCCC(F)P(C(F)CCC)C(F)CCC
InChIInChI=1S/C12H24F3P/c1-4-7-10(13)16(11(14)8-5-2)12(15)9-6-3/h10-12H,4-9H2,1-3H3
InChIKeyZQSHVAUPZPFXNX-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.29
LogP ≤ 55.76
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

Tetrabutylphosphonium fluoride
CID 11001016
Tri(n-butyl)difluorophosphorane
CID 6424901
Dibutyl(trifluoro)-lambda5-phosphane
CID 13706521
Trifluoro(dipentyl)-lambda5-phosphane
CID 13706522
Butan-2-yl-tert-butyl-trifluoro-lambda5-phosphane
CID 14738487
Di-s-butyltrifluorophosphorane
CID 85662766
t-Butyldifluorophosphonium butylide
CID 129768540
Tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
Difluoro-tri(propan-2-yl)-lambda5-phosphane
CID 12755172
Dimethyl-(trifluoromethyl)-(2-trimethylphosphaniumylethyl)phosphanium
CID 20802276
Tributyl(2,2,2-trifluoroethyl)phosphanium
CID 21062497
Tributyl(trifluoromethyl)phosphanium
CID 21062500

Frequently Asked Questions

What is the IUPAC name of tris(1-fluorobutyl)phosphane?
The IUPAC name of tris(1-fluorobutyl)phosphane (CID 87612447) is tris(1-fluorobutyl)phosphane.
What is the SMILES notation for tris(1-fluorobutyl)phosphane?
The canonical SMILES for tris(1-fluorobutyl)phosphane is CCCC(F)P(C(F)CCC)C(F)CCC.
What is the InChIKey of tris(1-fluorobutyl)phosphane?
The InChIKey is ZQSHVAUPZPFXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3P/c1-4-7-10(13)16(11(14)8-5-2)12(15)9-6-3/h10-12H,4-9H2,1-3H3.
What are the key properties of tris(1-fluorobutyl)phosphane?
tris(1-fluorobutyl)phosphane has a molecular weight of 256.29 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-fluorobutyl)phosphane is sourced from PubChem (CID 87612447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).