(Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene

C6HF9O — CID 23498218

IUPAC(Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESFC(F)=C(F)O/C=C(\F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF9O/c7-2(1-16-4(10)3(8)9)5(11,12)6(13,14)15/h1H/b2-1-
InChIKeyNAPLSVHZRADTSP-UPHRSURJSA-N
MW260.06 g/mol
LogP4.05
Rot. Bonds3

About (Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene

(Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene (PubChem CID 23498218) has the molecular formula C6HF9O and a molecular weight of 260.06 g/mol. Its IUPAC name is (Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene.

Molecular Properties

Compound Name(Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
PubChem CID23498218
Molecular FormulaC6HF9O
Molecular Weight260.06 g/mol
Exact Mass259.99
IUPAC Name(Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESFC(F)=C(F)O/C=C(\F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF9O/c7-2(1-16-4(10)3(8)9)5(11,12)6(13,14)15/h1H/b2-1-
InChIKeyNAPLSVHZRADTSP-UPHRSURJSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3,4,4,5,5,5-hexafluoropent-2-ene
CID 57455081
1,2,3,3,4,4,4-heptafluorobut-1-ene
CID 158100137
1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene
CID 171612885
1,1,2,3,4,4,5,5,5-nonafluoro-1-(1,1,2,3,4,4,5,5,5-nonafluoropent-2-enoxy)pent-2-ene
CID 141460580
1,1,2-trifluoro-2-(1,2,2-trifluoroethenoxy)ethene;hydroiodide
CID 87861576
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093
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
1-[[[[[[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 175843113
4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene
CID 15510226
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 14496010

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The IUPAC name of (Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene (CID 23498218) is (Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene.
What is the SMILES notation for (Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The canonical SMILES for (Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene is FC(F)=C(F)O/C=C(\F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The InChIKey is NAPLSVHZRADTSP-UPHRSURJSA-N. The full InChI is InChI=1S/C6HF9O/c7-2(1-16-4(10)3(8)9)5(11,12)6(13,14)15/h1H/b2-1-.
What are the key properties of (Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
(Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene has a molecular weight of 260.06 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3,3,4,4,4-hexafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene is sourced from PubChem (CID 23498218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).