(3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene

C5F8O — CID 87774691

IUPAC(3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene
SMILESFC(F)=C(F)/C(F)=C(/F)OC(F)(F)F
InChIInChI=1S/C5F8O/c6-1(3(8)9)2(7)4(10)14-5(11,12)13/b4-2+
InChIKeyKYBQMYRYQOCCHA-DUXPYHPUSA-N
MW228.04 g/mol
LogP3.71
Rot. Bonds2

About (3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene

(3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene (PubChem CID 87774691) has the molecular formula C5F8O and a molecular weight of 228.04 g/mol. Its IUPAC name is (3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene.

Molecular Properties

Compound Name(3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene
PubChem CID87774691
Molecular FormulaC5F8O
Molecular Weight228.04 g/mol
Exact Mass227.98
IUPAC Name(3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene
SMILESFC(F)=C(F)/C(F)=C(/F)OC(F)(F)F
InChIInChI=1S/C5F8O/c6-1(3(8)9)2(7)4(10)14-5(11,12)13/b4-2+
InChIKeyKYBQMYRYQOCCHA-DUXPYHPUSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-1,2-bis(trifluoromethoxy)ethene
CID 86055919
(E)-1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene
CID 14875812
(3E,5E)-1,1,2,3,4,5,6,7,8,8-decafluoroocta-1,3,5,7-tetraene
CID 101227521
1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene
CID 141123570
(3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene
CID 5462741
trifluoromethyl carbonofluoridate
CID 541789
1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanenitrile;1,1,2,2-tetrafluoroethene;1,1,2-trifluoro-2-(trifluoromethoxy)ethene
CID 170852223
bis(trifluoromethyl) oxalate
CID 71350742
bis(trifluoromethyl) carbonate
CID 21263525
1-[[[[[[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 175843113
1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate
CID 140506877

Frequently Asked Questions

What is the IUPAC name of (3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene?
The IUPAC name of (3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene (CID 87774691) is (3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene.
What is the SMILES notation for (3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene?
The canonical SMILES for (3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene is FC(F)=C(F)/C(F)=C(/F)OC(F)(F)F.
What is the InChIKey of (3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene?
The InChIKey is KYBQMYRYQOCCHA-DUXPYHPUSA-N. The full InChI is InChI=1S/C5F8O/c6-1(3(8)9)2(7)4(10)14-5(11,12)13/b4-2+.
What are the key properties of (3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene?
(3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene has a molecular weight of 228.04 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene is sourced from PubChem (CID 87774691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).