3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene

C19F36 — CID 155681379

IUPAC3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(C1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19F36/c20-5(21)1(3(12(32,33)34,13(35,36)37)9(26,27)7(24,16(44,45)46)17(47,48)49)2(6(22,23)11(5,30)31)4(14(38,39)40,15(41,42)43)10(28,29)8(25,18(50,51)52)19(53,54)55
InChIKeyQNYPSXMHRHKGAB-UHFFFAOYSA-N
MW912.14 g/mol
LogP12.36
Rot. Bonds6

About 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene

3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene (PubChem CID 155681379) has the molecular formula C19F36 and a molecular weight of 912.14 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene
PubChem CID155681379
Molecular FormulaC19F36
Molecular Weight912.14 g/mol
Exact Mass911.94
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(C1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19F36/c20-5(21)1(3(12(32,33)34,13(35,36)37)9(26,27)7(24,16(44,45)46)17(47,48)49)2(6(22,23)11(5,30)31)4(14(38,39)40,15(41,42)43)10(28,29)8(25,18(50,51)52)19(53,54)55
InChIKeyQNYPSXMHRHKGAB-UHFFFAOYSA-N
XLogP12.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.14
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene 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
1,3,3,4,4,5,5-Heptafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
CID 14007677
1,4,5,5-Tetrafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-bis(trifluoromethyl)cyclopentene
CID 134879577
Perfluoro[1-(1-ethyl-1-methylpropyl)]cyclohexene
CID 550630
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)cyclohexane
CID 12563816
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
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
1,3,3,4,4,5,6,6-Octafluoro-2-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-5-(trifluoromethyl)cyclohexene
CID 91695339
3,3,4,4,5,5-Hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
CID 12563818
(E)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene
CID 20384747
1,3,3,4,4,5,6,6-Octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexene
CID 44476393
1,2,3,5,5,6,6,7,7-Nonafluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)bicyclo[2.2.1]hept-2-ene
CID 88655862

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene (CID 155681379) is 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene is FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(C1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene?
The InChIKey is QNYPSXMHRHKGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19F36/c20-5(21)1(3(12(32,33)34,13(35,36)37)9(26,27)7(24,16(44,45)46)17(47,48)49)2(6(22,23)11(5,30)31)4(14(38,39)40,15(41,42)43)10(28,29)8(25,18(50,51)52)19(53,54)55.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene has a molecular weight of 912.14 g/mol, XLogP of 12.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclopentene is sourced from PubChem (CID 155681379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).