1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene

C6H3F9 — CID 90983724

IUPAC1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)C=CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h1-3H
InChIKeyPXINDCPNVPPLOD-UHFFFAOYSA-N
MW246.07 g/mol
LogP3.85
Rot. Bonds1

About 1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene

1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene (PubChem CID 90983724) has the molecular formula C6H3F9 and a molecular weight of 246.07 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene
PubChem CID90983724
Molecular FormulaC6H3F9
Molecular Weight246.07 g/mol
Exact Mass246.01
IUPAC Name1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)C=CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h1-3H
InChIKeyPXINDCPNVPPLOD-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1,2,2,5,5,6,6,6-Decafluoro-3-hexene (HFO-153-10mczz-E)
CID 19780784
1,1,1,5,5,5-Hexafluoro-4-(trifluoromethyl)-2-pentene
CID 15311655
(Z)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pent-2-ene
CID 15936884
(2E)-1,1,1,4,4,5,5,5-octafluoropent-2-ene
CID 18520951
(E)-5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-2-ene
CID 23236402
1,1,1,4,5,5,5-Heptafluoro-4-(trifluoromethyl)pent-2-ene
CID 57455069
1,1,1,2,3-Pentafluoro-2,5-hexadiene
CID 2778713
(E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene
CID 12578249
CID 101695173
CID 101695173
(Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene
CID 23262930
(Z)-1,1,1,2,4,5,5,5-octafluoro-4-(trifluoromethyl)pent-2-ene
CID 23266234
(E)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pent-2-ene
CID 23266235

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene (CID 90983724) is 1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene is FC(F)(F)C=CC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene?
The InChIKey is PXINDCPNVPPLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h1-3H.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene?
1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene has a molecular weight of 246.07 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 90983724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).