tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane

C12AsF27 — CID 15800040

IUPACtris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[As](C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12AsF27/c14-1(15,4(20,21)10(32,33)34)7(26,27)13(8(28,29)2(16,17)5(22,23)11(35,36)37)9(30,31)3(18,19)6(24,25)12(38,39)40
InChIKeyCVQPKIILJJPJGY-UHFFFAOYSA-N
MW732.00 g/mol
LogP8.50
Rot. Bonds9

About tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane

tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane (PubChem CID 15800040) has the molecular formula C12AsF27 and a molecular weight of 732.00 g/mol. Its IUPAC name is tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane.

Molecular Properties

Compound Nametris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane
PubChem CID15800040
Molecular FormulaC12AsF27
Molecular Weight732.00 g/mol
Exact Mass731.88
IUPAC Nametris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[As](C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12AsF27/c14-1(15,4(20,21)10(32,33)34)7(26,27)13(8(28,29)2(16,17)5(22,23)11(35,36)37)9(30,31)3(18,19)6(24,25)12(38,39)40
InChIKeyCVQPKIILJJPJGY-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.00
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
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CID 175811708
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CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
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CID 19898566
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane;trifluoromethanesulfonic acid
CID 87936901
CID 22349056
CID 22349056
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl(trihydroxy)silane
CID 22610622
1,1,1,4,4,5,5,6,6,7,7,7-dodecafluorohept-2-yne
CID 46898415
(1,2,2,3,3,4,4,5,5,6,6,6-dodecafluoro-1-silylhexyl)silane
CID 173470739

Frequently Asked Questions

What is the IUPAC name of tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane?
The IUPAC name of tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane (CID 15800040) is tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane.
What is the SMILES notation for tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane?
The canonical SMILES for tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[As](C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane?
The InChIKey is CVQPKIILJJPJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12AsF27/c14-1(15,4(20,21)10(32,33)34)7(26,27)13(8(28,29)2(16,17)5(22,23)11(35,36)37)9(30,31)3(18,19)6(24,25)12(38,39)40.
What are the key properties of tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane?
tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane has a molecular weight of 732.00 g/mol, XLogP of 8.50, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane is sourced from PubChem (CID 15800040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).