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

C19F34 — CID 88655862

IUPAC1,2,3,5,5,6,6,7,7-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
SMILESFC1=C(F)C2(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)C2(F)F
InChIInChI=1S/C19F34/c20-1-2(21)4(22)5(23,24)3(1,6(25,26)8(4,29)30)7(27,28)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)19(51,52)53
InChIKeyPGAXIWNVZHFBQR-UHFFFAOYSA-N
MW874.14 g/mol
LogP11.32
Rot. Bonds11

About 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

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 (PubChem CID 88655862) has the molecular formula C19F34 and a molecular weight of 874.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,5,5,6,6,7,7-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
PubChem CID88655862
Molecular FormulaC19F34
Molecular Weight874.14 g/mol
Exact Mass873.95
IUPAC Name1,2,3,5,5,6,6,7,7-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
SMILESFC1=C(F)C2(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)C2(F)F
InChIInChI=1S/C19F34/c20-1-2(21)4(22)5(23,24)3(1,6(25,26)8(4,29)30)7(27,28)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)19(51,52)53
InChIKeyPGAXIWNVZHFBQR-UHFFFAOYSA-N
XLogP11.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.14
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC1=C(F)C2(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)C2(F)F.
What is the InChIKey of 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?
The InChIKey is PGAXIWNVZHFBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19F34/c20-1-2(21)4(22)5(23,24)3(1,6(25,26)8(4,29)30)7(27,28)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)19(51,52)53.
What are the key properties of 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?
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 has a molecular weight of 874.14 g/mol, XLogP of 11.32, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88655862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).