[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene

C15H5F17O — CID 14416847

IUPAC[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene
SMILESFC(F)(F)C(Oc1ccccc1)=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H5F17O/c16-9(12(21,22)23,13(24,25)26)7(10(17,14(27,28)29)15(30,31)32)8(11(18,19)20)33-6-4-2-1-3-5-6/h1-5H
InChIKeyPLAIJBWGCHNXAN-UHFFFAOYSA-N
MW524.17 g/mol
LogP7.55
Rot. Bonds4

About [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene

[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene (PubChem CID 14416847) has the molecular formula C15H5F17O and a molecular weight of 524.17 g/mol. Its IUPAC name is [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene.

Molecular Properties

Compound Name[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene
PubChem CID14416847
Molecular FormulaC15H5F17O
Molecular Weight524.17 g/mol
Exact Mass524.01
IUPAC Name[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene
SMILESFC(F)(F)C(Oc1ccccc1)=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H5F17O/c16-9(12(21,22)23,13(24,25)26)7(10(17,14(27,28)29)15(30,31)32)8(11(18,19)20)33-6-4-2-1-3-5-6/h1-5H
InChIKeyPLAIJBWGCHNXAN-UHFFFAOYSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.17
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene with MolForge

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Related Compounds

1,1,3,3,4,4,4-heptafluorobut-1-en-2-yloxybenzene
CID 58602117
1-ethenyl-4-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methylbenzene
CID 102380324
phenyl 2,3-dichloro-4,4,4-trifluorobut-2-enoate
CID 154352337
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CID 156565364
phenyl 2,2-difluoro-2-methylsulfanylacetate
CID 101183893
phenyl 2-(trifluoromethyl)prop-2-enoate
CID 11413270
anisole;2,2,2-trifluoroacetic acid
CID 66633105
1-O-(2-fluoro-2-methylpropyl) 2-O-phenyl oxalate
CID 138664640
2,2,3,3-tetrafluoro-4-oxo-4-phenoxybutanoate
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4-[(Z)-1-cyano-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]oxybenzonitrile
CID 6371206
(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one
CID 11811257
phenyl 4-aminobutanoate;2,2,2-trifluoroacetic acid
CID 54753950

Frequently Asked Questions

What is the IUPAC name of [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene?
The IUPAC name of [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene (CID 14416847) is [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene.
What is the SMILES notation for [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene?
The canonical SMILES for [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene is FC(F)(F)C(Oc1ccccc1)=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene?
The InChIKey is PLAIJBWGCHNXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F17O/c16-9(12(21,22)23,13(24,25)26)7(10(17,14(27,28)29)15(30,31)32)8(11(18,19)20)33-6-4-2-1-3-5-6/h1-5H.
What are the key properties of [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene?
[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene has a molecular weight of 524.17 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxybenzene is sourced from PubChem (CID 14416847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).