2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]

C27H17F3O — CID 123921989

IUPAC2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]
SMILESFC(F)(F)OCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C27H17F3O/c28-27(29,30)31-16-17-13-14-21-20-9-3-6-12-24(20)26(25(21)15-17)22-10-4-1-7-18(22)19-8-2-5-11-23(19)26/h1-15H,16H2
InChIKeyLIWDCICUFGRJRK-UHFFFAOYSA-N
MW414.43 g/mol
LogP7.07
Rot. Bonds2

About 2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]

2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene] (PubChem CID 123921989) has the molecular formula C27H17F3O and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]
PubChem CID123921989
Molecular FormulaC27H17F3O
Molecular Weight414.43 g/mol
Exact Mass414.12
IUPAC Name2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]
SMILESFC(F)(F)OCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C27H17F3O/c28-27(29,30)31-16-17-13-14-21-20-9-3-6-12-24(20)26(25(21)15-17)22-10-4-1-7-18(22)19-8-2-5-11-23(19)26/h1-15H,16H2
InChIKeyLIWDCICUFGRJRK-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.43
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
tetrakis(9,9'-spirobi[fluorene]-2-yl)silane
CID 21032480
(Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine
CID 138484424
2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde
CID 22016048
CID 147413538
CID 147413538
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
1-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)ethanimine
CID 144639664
5-bromo-2-ethyl-9,9'-spirobi[fluorene]
CID 142521287

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene] (CID 123921989) is 2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene] is FC(F)(F)OCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]?
The InChIKey is LIWDCICUFGRJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3O/c28-27(29,30)31-16-17-13-14-21-20-9-3-6-12-24(20)26(25(21)15-17)22-10-4-1-7-18(22)19-8-2-5-11-23(19)26/h1-15H,16H2.
What are the key properties of 2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]?
2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene] has a molecular weight of 414.43 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 123921989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).