1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane

C6H2F13P — CID 21095712

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)P
InChIInChI=1S/C6H2F13P/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20/h20H2
InChIKeyWINZERXZYUENOL-UHFFFAOYSA-N
MW352.03 g/mol
LogP4.56
Rot. Bonds4

About 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane (PubChem CID 21095712) has the molecular formula C6H2F13P and a molecular weight of 352.03 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane
PubChem CID21095712
Molecular FormulaC6H2F13P
Molecular Weight352.03 g/mol
Exact Mass351.97
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)P
InChIInChI=1S/C6H2F13P/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20/h20H2
InChIKeyWINZERXZYUENOL-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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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
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CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
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sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-1-olate
CID 176897459
sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate
CID 23682889
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane (CID 21095712) is 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)P.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane?
The InChIKey is WINZERXZYUENOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F13P/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20/h20H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane?
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane has a molecular weight of 352.03 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane is sourced from PubChem (CID 21095712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).