1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene

C7F14 — CID 98117232

IUPAC1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene
SMILESFC(F)=C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F14/c8-1(2(9)10)3(5(13,14)15,6(16,17)18)4(11,12)7(19,20)21
InChIKeyXSDYKRUQANQODG-UHFFFAOYSA-N
MW350.05 g/mol
LogP5.37
Rot. Bonds2

About 1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene

1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene (PubChem CID 98117232) has the molecular formula C7F14 and a molecular weight of 350.05 g/mol. Its IUPAC name is 1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene
PubChem CID98117232
Molecular FormulaC7F14
Molecular Weight350.05 g/mol
Exact Mass349.98
IUPAC Name1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene
SMILESFC(F)=C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F14/c8-1(2(9)10)3(5(13,14)15,6(16,17)18)4(11,12)7(19,20)21
InChIKeyXSDYKRUQANQODG-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.05
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
CID 139608619
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane
CID 86252912
1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane
CID 170513614
1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene
CID 18629941
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene
CID 150184728
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,5,5-heptafluoropenta-1,4-dienoxy)pent-1-ene
CID 173370354

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene?
The IUPAC name of 1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene (CID 98117232) is 1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene?
The canonical SMILES for 1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene is FC(F)=C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene?
The InChIKey is XSDYKRUQANQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14/c8-1(2(9)10)3(5(13,14)15,6(16,17)18)4(11,12)7(19,20)21.
What are the key properties of 1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene?
1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene has a molecular weight of 350.05 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 98117232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).