4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene

C12F20 — CID 12600360

IUPAC4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene
SMILESFC(F)=C(C1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F20/c13-4(14)2(8(18,19)20)1-3(6(15,11(27,28)29)12(30,31)32)7(16,17)5(1,9(21,22)23)10(24,25)26
InChIKeyZJNUROZMIWLUEV-UHFFFAOYSA-N
MW524.09 g/mol
LogP7.59
Rot. Bonds2

About 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene

4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene (PubChem CID 12600360) has the molecular formula C12F20 and a molecular weight of 524.09 g/mol. Its IUPAC name is 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene
PubChem CID12600360
Molecular FormulaC12F20
Molecular Weight524.09 g/mol
Exact Mass523.97
IUPAC Name4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene
SMILESFC(F)=C(C1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F20/c13-4(14)2(8(18,19)20)1-3(6(15,11(27,28)29)12(30,31)32)7(16,17)5(1,9(21,22)23)10(24,25)26
InChIKeyZJNUROZMIWLUEV-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene with MolForge

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Related Compounds

1,3,3,4,4-Pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
CID 12563821
3,3,4,4-Tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
CID 14007676
Perfluoro[1-(1-ethyl-1-methylpropyl)]cyclohexene
CID 550630
1-[1,1,1,3,3,4,4,5,5,5-Decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene
CID 12563822
3,3-Difluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4,4-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]cyclobutene
CID 12600358
3,3-Difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene
CID 12708036
3,3-Difluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-4,4-bis(trifluoromethyl)cyclobutene
CID 13108420
3,3-Difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4,4-bis(trifluoromethyl)cyclobutene
CID 13108421
1,3,3,4,4,5,6,6-Octafluoro-2-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-5-(trifluoromethyl)cyclohexene
CID 91695339
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1,3,3-tris(trifluoromethyl)cyclobutene
CID 54369101
3-(Difluoromethylidene)-1-fluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopropene
CID 140118119
1-[1,1,2,2,3,3,4,5,5,5-Decafluoro-4-(trifluoromethyl)pentyl]-7-(difluoromethylidene)-2,3,3,4,4,5,5,6,6-nonafluorocycloheptene
CID 140118123

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene?
The IUPAC name of 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene (CID 12600360) is 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene.
What is the SMILES notation for 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene?
The canonical SMILES for 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene is FC(F)=C(C1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene?
The InChIKey is ZJNUROZMIWLUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F20/c13-4(14)2(8(18,19)20)1-3(6(15,11(27,28)29)12(30,31)32)7(16,17)5(1,9(21,22)23)10(24,25)26.
What are the key properties of 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene?
4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene has a molecular weight of 524.09 g/mol, XLogP of 7.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene is sourced from PubChem (CID 12600360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).