diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene

C18H13F8P — CID 174272811

IUPACdiphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene
SMILESFC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C6H2F8/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-2-1-4(9,10)6(13,14)5(11,12)3(2)8/h1-10,13H;1H2
InChIKeyJTGYHTAOXQENHN-UHFFFAOYSA-N
MW412.26 g/mol
LogP5.76
Rot. Bonds2

About diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene

diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene (PubChem CID 174272811) has the molecular formula C18H13F8P and a molecular weight of 412.26 g/mol. Its IUPAC name is diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene.

Molecular Properties

Compound Namediphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene
PubChem CID174272811
Molecular FormulaC18H13F8P
Molecular Weight412.26 g/mol
Exact Mass412.06
IUPAC Namediphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene
SMILESFC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C6H2F8/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-2-1-4(9,10)6(13,14)5(11,12)3(2)8/h1-10,13H;1H2
InChIKeyJTGYHTAOXQENHN-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.26
LogP ≤ 55.76
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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diphenylphosphane;phosphorous acid
CID 158763055
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CID 174711189
diphenylphosphane;trichlororuthenium
CID 162065304
dichloromethane;diphenylphosphane
CID 158269242
diphenylphosphane;thiolane
CID 174886019
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CID 175484200

Frequently Asked Questions

What is the IUPAC name of diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene?
The IUPAC name of diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene (CID 174272811) is diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene.
What is the SMILES notation for diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene?
The canonical SMILES for diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene is FC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene?
The InChIKey is JTGYHTAOXQENHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C6H2F8/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-2-1-4(9,10)6(13,14)5(11,12)3(2)8/h1-10,13H;1H2.
What are the key properties of diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene?
diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene has a molecular weight of 412.26 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene is sourced from PubChem (CID 174272811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).