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

C8H4F12O — CID 23233564

IUPAC1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene
SMILESCOC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12O/c1-21-2(3(5(9,10)11)6(12,13)14)4(7(15,16)17)8(18,19)20/h3H,1H3
InChIKeyWGLNBQNKDULALL-UHFFFAOYSA-N
MW344.10 g/mol
LogP4.75
Rot. Bonds2

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

1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene (PubChem CID 23233564) has the molecular formula C8H4F12O and a molecular weight of 344.10 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene
PubChem CID23233564
Molecular FormulaC8H4F12O
Molecular Weight344.10 g/mol
Exact Mass344.01
IUPAC Name1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene
SMILESCOC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12O/c1-21-2(3(5(9,10)11)6(12,13)14)4(7(15,16)17)8(18,19)20/h3H,1H3
InChIKeyWGLNBQNKDULALL-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxyperfluoro-2-methyl-2-pentene
CID 12751226
1,1,1,4,4,5,5,5-Octafluoro-3-propan-2-yloxy-2-(trifluoromethyl)pent-2-ene
CID 13513419
3-Butan-2-yloxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 13513420
1,1,1,4,4,5,5,5-Octafluoro-3-(2-methylpropoxy)-2-(trifluoromethyl)pent-2-ene
CID 13513421
3-Ethoxyperfluoro-2-methyl-2-pentene
CID 12662703
3-Ethoxy-1,1,1,4,4,5,5,6,6,6-decafluoro-2-(trifluoromethyl)hex-2-ene
CID 13267237
1,1,1,4,4,5,5,5-Octafluoro-3-(2,2,3,3-tetrafluoropropoxy)-2-(trifluoromethyl)pent-2-ene
CID 13513424
1,1,1,4,4,5,5,5-Octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene
CID 15006628
1,1,1,4,5,5,5-Heptafluoro-3-propoxy-2,4-bis(trifluoromethyl)pent-2-ene
CID 15124829
1,1,1,4,5,5,5-Heptafluoro-3-(3-methylbutoxy)-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761938
3-Ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761951
3-Butoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761956

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene (CID 23233564) is 1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene is COC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene?
The InChIKey is WGLNBQNKDULALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O/c1-21-2(3(5(9,10)11)6(12,13)14)4(7(15,16)17)8(18,19)20/h3H,1H3.
What are the key properties of 1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene?
1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene has a molecular weight of 344.10 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-3-methoxy-2,4-bis(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 23233564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).