1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene

C12F22 — CID 175349151

IUPAC1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene
SMILESFC(C(F)=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F22/c13-1(2(14)4(15)7(19,20)8(21,22)12(32,33)34)3(6(17,18)11(29,30)31)5(16,9(23,24)25)10(26,27)28
InChIKeyCIJKPQZDMCOEQZ-UHFFFAOYSA-N
MW562.09 g/mol
LogP8.22
Rot. Bonds5

About 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene

1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene (PubChem CID 175349151) has the molecular formula C12F22 and a molecular weight of 562.09 g/mol. Its IUPAC name is 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene.

Molecular Properties

Compound Name1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene
PubChem CID175349151
Molecular FormulaC12F22
Molecular Weight562.09 g/mol
Exact Mass561.96
IUPAC Name1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene
SMILESFC(C(F)=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F22/c13-1(2(14)4(15)7(19,20)8(21,22)12(32,33)34)3(6(17,18)11(29,30)31)5(16,9(23,24)25)10(26,27)28
InChIKeyCIJKPQZDMCOEQZ-UHFFFAOYSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.09
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene with MolForge

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Related Compounds

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(Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene
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CID 163324826
(2E,4E)-2,3,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundeca-2,4-dienoic acid
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but-1-ene;4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane
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2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide
CID 87352429
(2E,4E)-1,1,2,3,4,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadeca-2,4-diene-1-sulfonic acid
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3,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-3-en-2-one
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1-ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
CID 172692823
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CID 151086807

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene?
The IUPAC name of 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene (CID 175349151) is 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene.
What is the SMILES notation for 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene?
The canonical SMILES for 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene is FC(C(F)=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene?
The InChIKey is CIJKPQZDMCOEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F22/c13-1(2(14)4(15)7(19,20)8(21,22)12(32,33)34)3(6(17,18)11(29,30)31)5(16,9(23,24)25)10(26,27)28.
What are the key properties of 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene?
1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene has a molecular weight of 562.09 g/mol, XLogP of 8.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene is sourced from PubChem (CID 175349151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).