(4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene

C12F20 — CID 12710296

IUPAC(4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene
SMILESFC1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)/C1=C(\C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F20/c13-2-1(3(7(15,16)17)6(14,11(27,28)29)12(30,31)32)5(9(21,22)23,10(24,25)26)4(2)8(18,19)20/b3-1-
InChIKeyLMWNUTUHPWLPJX-IWQZZHSRSA-N
MW524.09 g/mol
LogP7.59
Rot. Bonds1

About (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene

(4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene (PubChem CID 12710296) has the molecular formula C12F20 and a molecular weight of 524.09 g/mol. Its IUPAC name is (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name(4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene
PubChem CID12710296
Molecular FormulaC12F20
Molecular Weight524.09 g/mol
Exact Mass523.97
IUPAC Name(4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene
SMILESFC1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)/C1=C(\C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F20/c13-2-1(3(7(15,16)17)6(14,11(27,28)29)12(30,31)32)5(9(21,22)23,10(24,25)26)4(2)8(18,19)20/b3-1-
InChIKeyLMWNUTUHPWLPJX-IWQZZHSRSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.09
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene with MolForge

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Related Compounds

1,2,3,4,5,5-Hexakis(trifluoromethyl)-1,3-cyclopentadiene
CID 11762501
Perfluoro-3,4-dimethyl-4-ethylhex-2-ene
CID 527537
2-Hexene, 4-ethyl, 3,4-dimethyl, perfluoro-
CID 5352546
3-(Difluoromethylidene)-1,1-difluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)cyclobutane
CID 12636904
Perfluoro-1,2-diisopropylidene-3,3-dimethylcyclobutane
CID 13613125
(4E)-3-(difluoromethylidene)-1,1,2-trifluoro-4-(1,2,2,3,3,3-hexafluoropropylidene)-2-(1,1,2,2,2-pentafluoroethyl)cyclobutane
CID 134916025
(4Z)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene
CID 21732860
1,1,1,3,5,5,6,6,6-Nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-2,4-bis(trifluoromethyl)hex-2-ene
CID 19047903
1,4,4-Trifluoro-2,3,3-tris(trifluoromethyl)cyclobutene
CID 23236411
5-Fluoro-1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene
CID 140036070
3-(Difluoromethylidene)-1-fluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopropene
CID 140118119
3-(Difluoromethylidene)-1-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopropene
CID 140118129

Frequently Asked Questions

What is the IUPAC name of (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene?
The IUPAC name of (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene (CID 12710296) is (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene.
What is the SMILES notation for (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene?
The canonical SMILES for (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene is FC1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)/C1=C(\C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene?
The InChIKey is LMWNUTUHPWLPJX-IWQZZHSRSA-N. The full InChI is InChI=1S/C12F20/c13-2-1(3(7(15,16)17)6(14,11(27,28)29)12(30,31)32)5(9(21,22)23,10(24,25)26)4(2)8(18,19)20/b3-1-.
What are the key properties of (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene?
(4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene has a molecular weight of 524.09 g/mol, XLogP of 7.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene is sourced from PubChem (CID 12710296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).