1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene

C10H4F14O — CID 141454663

IUPAC1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene
SMILESFC(F)(F)C=CC(F)(OC(F)(C=CC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F14O/c11-5(9(19,20)21,1-3-7(13,14)15)25-6(12,10(22,23)24)2-4-8(16,17)18/h1-4H
InChIKeyAQWKLNSRFBNMBL-UHFFFAOYSA-N
MW406.11 g/mol
LogP5.70
Rot. Bonds4

About 1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene

1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene (PubChem CID 141454663) has the molecular formula C10H4F14O and a molecular weight of 406.11 g/mol. Its IUPAC name is 1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene
PubChem CID141454663
Molecular FormulaC10H4F14O
Molecular Weight406.11 g/mol
Exact Mass406.00
IUPAC Name1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene
SMILESFC(F)(F)C=CC(F)(OC(F)(C=CC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F14O/c11-5(9(19,20)21,1-3-7(13,14)15)25-6(12,10(22,23)24)2-4-8(16,17)18/h1-4H
InChIKeyAQWKLNSRFBNMBL-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.11
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene with MolForge

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Related Compounds

2,5,5-Trifluoro-2-trifluoromethylfuran
CID 12677444
2,5-Difluoro-2,5-bis(trifluoromethyl)-2,5-dihydrofuran
CID 13700098
2,5,5-Trifluoro-2-(difluoromethyl)-2,5-dihydrofuran
CID 15717479
2,2,3,5-Tetrafluoro-5-(trifluoromethyl)furan
CID 60058126
(Z)-3,4,4,5,5,6,6,6-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)hex-2-ene
CID 9979030
(2R,5S)-2,5-bis(difluoromethyl)-2,5-difluorofuran
CID 21732056
(2S)-2-(difluoromethyl)-2,5,5-trifluorofuran
CID 95241679
2,2-Dimethyl-5,5-bis(trifluoromethyl)furan
CID 23405391
3,4,5,5,6,6,6-Heptafluoro-2-(3,4,5,5,6,6,6-heptafluorohexa-1,3-dien-2-yloxy)hexa-1,3-diene
CID 53655104
(Z)-1,1,2-trifluoro-1-[(Z)-1,1,2-trifluoropent-2-enoxy]pent-2-ene
CID 88481339
4,4,5,5-Tetrafluoro-1-(4,4,5,5-tetrafluoropent-2-enoxy)pent-2-ene
CID 89405455
(E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene
CID 90262440

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene?
The IUPAC name of 1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene (CID 141454663) is 1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene.
What is the SMILES notation for 1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene?
The canonical SMILES for 1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene is FC(F)(F)C=CC(F)(OC(F)(C=CC(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene?
The InChIKey is AQWKLNSRFBNMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F14O/c11-5(9(19,20)21,1-3-7(13,14)15)25-6(12,10(22,23)24)2-4-8(16,17)18/h1-4H.
What are the key properties of 1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene?
1,1,1,4,5,5,5-heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene has a molecular weight of 406.11 g/mol, XLogP of 5.70, 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-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene is sourced from PubChem (CID 141454663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).