1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene

C17F30 — CID 14474514

IUPAC1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C17F30/c18-1-2(19)4(21,9(29,30)14(39,40)12(35,36)7(2,25)26)5(22,10(31,32)15(41,42)16(43,44)17(45,46)47)3(1,20)8(27,28)13(37,38)11(33,34)6(1,23)24
InChIKeyLWPDBLHDUGVZIJ-UHFFFAOYSA-N
MW774.13 g/mol
LogP9.12
Rot. Bonds3

About 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene

1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene (PubChem CID 14474514) has the molecular formula C17F30 and a molecular weight of 774.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene
PubChem CID14474514
Molecular FormulaC17F30
Molecular Weight774.13 g/mol
Exact Mass773.95
IUPAC Name1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C17F30/c18-1-2(19)4(21,9(29,30)14(39,40)12(35,36)7(2,25)26)5(22,10(31,32)15(41,42)16(43,44)17(45,46)47)3(1,20)8(27,28)13(37,38)11(33,34)6(1,23)24
InChIKeyLWPDBLHDUGVZIJ-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.13
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene?
The IUPAC name of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene (CID 14474514) is 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene?
The canonical SMILES for 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene?
The InChIKey is LWPDBLHDUGVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17F30/c18-1-2(19)4(21,9(29,30)14(39,40)12(35,36)7(2,25)26)5(22,10(31,32)15(41,42)16(43,44)17(45,46)47)3(1,20)8(27,28)13(37,38)11(33,34)6(1,23)24.
What are the key properties of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene?
1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene has a molecular weight of 774.13 g/mol, XLogP of 9.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9a-henicosafluoro-9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluorene is sourced from PubChem (CID 14474514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).