tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane

C15H27F6P — CID 11727878

IUPACtributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane
SMILESCCCCP(F)(CCCC)(CCCC)/C(F)=C(/F)C(F)(F)F
InChIInChI=1S/C15H27F6P/c1-4-7-10-22(21,11-8-5-2,12-9-6-3)14(17)13(16)15(18,19)20/h4-12H2,1-3H3/b14-13+
InChIKeyZDJLTLQTYPMOCQ-BUHFOSPRSA-N
MW352.34 g/mol
LogP7.49
Rot. Bonds10

About tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane

tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane (PubChem CID 11727878) has the molecular formula C15H27F6P and a molecular weight of 352.34 g/mol. Its IUPAC name is tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane.

Molecular Properties

Compound Nametributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane
PubChem CID11727878
Molecular FormulaC15H27F6P
Molecular Weight352.34 g/mol
Exact Mass352.18
IUPAC Nametributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane
SMILESCCCCP(F)(CCCC)(CCCC)/C(F)=C(/F)C(F)(F)F
InChIInChI=1S/C15H27F6P/c1-4-7-10-22(21,11-8-5-2,12-9-6-3)14(17)13(16)15(18,19)20/h4-12H2,1-3H3/b14-13+
InChIKeyZDJLTLQTYPMOCQ-BUHFOSPRSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 57.49
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

tributyl-fluoro-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-lambda5-phosphane
CID 12589476
3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene
CID 174975594
tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride
CID 14950742
1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tetradecane
CID 175204949
heptadecane;hypofluorous acid
CID 158426244
(Z)-1,1,1,2,3,4,4-heptafluorohex-2-ene
CID 124671886
pentane;2,2,2-trifluoroacetic acid
CID 161039566
pentanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 159071922
tetrabutyl-(tetrabutyl-λ5-phosphanyl)-λ5-phosphane
CID 173272787
ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene
CID 142059111
butyl-trihydroxy-methyl-λ5-phosphane
CID 87283068
tetrabutyl-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-λ5-phosphane
CID 140712352

Frequently Asked Questions

What is the IUPAC name of tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane?
The IUPAC name of tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane (CID 11727878) is tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane.
What is the SMILES notation for tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane?
The canonical SMILES for tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane is CCCCP(F)(CCCC)(CCCC)/C(F)=C(/F)C(F)(F)F.
What is the InChIKey of tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane?
The InChIKey is ZDJLTLQTYPMOCQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H27F6P/c1-4-7-10-22(21,11-8-5-2,12-9-6-3)14(17)13(16)15(18,19)20/h4-12H2,1-3H3/b14-13+.
What are the key properties of tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane?
tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane has a molecular weight of 352.34 g/mol, XLogP of 7.49, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane is sourced from PubChem (CID 11727878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).