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

C7F14 — CID 12789863

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

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

1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene (PubChem CID 12789863) has the molecular formula C7F14 and a molecular weight of 350.05 g/mol. Its IUPAC name is 1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene
PubChem CID12789863
Molecular FormulaC7F14
Molecular Weight350.05 g/mol
Exact Mass349.98
IUPAC Name1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F14/c8-2(9)1(4(11,12)13)3(10,6(16,17)18)5(14,15)7(19,20)21
InChIKeyKIHJTDVBGUKQIJ-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene?
The IUPAC name of 1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene (CID 12789863) is 1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene?
The canonical SMILES for 1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene is FC(F)=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene?
The InChIKey is KIHJTDVBGUKQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14/c8-2(9)1(4(11,12)13)3(10,6(16,17)18)5(14,15)7(19,20)21.
What are the key properties of 1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene?
1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene has a molecular weight of 350.05 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4,5,5,5-octafluoro-2,3-bis(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 12789863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).