1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene

C10F18 — CID 12563822

IUPAC1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C10F18/c11-2-1(4(12,13)5(2,14)15)3(8(20,21)22,9(23,24)25)6(16,17)7(18,19)10(26,27)28
InChIKeyWQAHDWOHBRWVSA-UHFFFAOYSA-N
MW462.07 g/mol
LogP6.44
Rot. Bonds3

About 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene

1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene (PubChem CID 12563822) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene.

Molecular Properties

Compound Name1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene
PubChem CID12563822
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C10F18/c11-2-1(4(12,13)5(2,14)15)3(8(20,21)22,9(23,24)25)6(16,17)7(18,19)10(26,27)28
InChIKeyWQAHDWOHBRWVSA-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene with MolForge

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Related Compounds

Perfluoro-t-butylcyclobutene
CID 14007675
1,2,3,3,4,4-Hexakis(trifluoromethyl)cyclobutene
CID 139264064
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
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
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
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
2,3,3,4,4-Pentafluoro-1-(heptafluorocyclobutyl)cyclobutene
CID 12525334

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene?
The IUPAC name of 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) is 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene.
What is the SMILES notation for 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene?
The canonical SMILES for 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene is FC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene?
The InChIKey is WQAHDWOHBRWVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-2-1(4(12,13)5(2,14)15)3(8(20,21)22,9(23,24)25)6(16,17)7(18,19)10(26,27)28.
What are the key properties of 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene?
1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene has a molecular weight of 462.07 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene is sourced from PubChem (CID 12563822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).