dibutyl(trifluoromethyl)phosphane

C9H18F3P — CID 89202864

IUPACdibutyl(trifluoromethyl)phosphane
SMILESCCCCP(CCCC)C(F)(F)F
InChIInChI=1S/C9H18F3P/c1-3-5-7-13(8-6-4-2)9(10,11)12/h3-8H2,1-2H3
InChIKeyCYSBLJPOAOBWOZ-UHFFFAOYSA-N
MW214.21 g/mol
LogP4.59
Rot. Bonds6

About dibutyl(trifluoromethyl)phosphane

dibutyl(trifluoromethyl)phosphane (PubChem CID 89202864) has the molecular formula C9H18F3P and a molecular weight of 214.21 g/mol. Its IUPAC name is dibutyl(trifluoromethyl)phosphane.

Molecular Properties

Compound Namedibutyl(trifluoromethyl)phosphane
PubChem CID89202864
Molecular FormulaC9H18F3P
Molecular Weight214.21 g/mol
Exact Mass214.11
IUPAC Namedibutyl(trifluoromethyl)phosphane
SMILESCCCCP(CCCC)C(F)(F)F
InChIInChI=1S/C9H18F3P/c1-3-5-7-13(8-6-4-2)9(10,11)12/h3-8H2,1-2H3
InChIKeyCYSBLJPOAOBWOZ-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 54.59
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

Tri(n-butyl)difluorophosphorane
CID 6424901
Dibutyl(trifluoro)-lambda5-phosphane
CID 13706521
Di-s-butyltrifluorophosphorane
CID 85662766
Di(propan-2-yl)-sulfanylidene-(1,2,2-trifluoroethenyl)-lambda5-phosphane
CID 85992677
Difluoro-tri(propan-2-yl)-lambda5-phosphane
CID 12755172
Dimethyl(3,3,3-trifluoropropyl)phosphane
CID 12844542
1-[Bis(trifluoromethyl)phosphanyl]butan-2-yl-bis(trifluoromethyl)phosphane
CID 20063726
Dimethyl-(trifluoromethyl)-(2-trimethylphosphaniumylethyl)phosphanium
CID 20802276
Tributyl(2,2,2-trifluoroethyl)phosphanium
CID 21062497
Tributyl(trifluoromethyl)phosphanium
CID 21062500
Triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium
CID 21062501
Butyl(trifluoromethyl)phosphane
CID 21096689

Frequently Asked Questions

What is the IUPAC name of dibutyl(trifluoromethyl)phosphane?
The IUPAC name of dibutyl(trifluoromethyl)phosphane (CID 89202864) is dibutyl(trifluoromethyl)phosphane.
What is the SMILES notation for dibutyl(trifluoromethyl)phosphane?
The canonical SMILES for dibutyl(trifluoromethyl)phosphane is CCCCP(CCCC)C(F)(F)F.
What is the InChIKey of dibutyl(trifluoromethyl)phosphane?
The InChIKey is CYSBLJPOAOBWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3P/c1-3-5-7-13(8-6-4-2)9(10,11)12/h3-8H2,1-2H3.
What are the key properties of dibutyl(trifluoromethyl)phosphane?
dibutyl(trifluoromethyl)phosphane has a molecular weight of 214.21 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(trifluoromethyl)phosphane is sourced from PubChem (CID 89202864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).