2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]

C27H17F3O — CID 118965145

IUPAC2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
SMILESCc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(F)(F)F)ccc1-2
InChIInChI=1S/C27H17F3O/c1-16-10-12-18-19-13-11-17(27(28,29)30)15-23(19)26(22(18)14-16)20-6-2-4-8-24(20)31-25-9-5-3-7-21(25)26/h2-15H,1H3
InChIKeyOPCGVYXKTMZZRU-UHFFFAOYSA-N
MW414.43 g/mol
LogP7.48
Rot. Bonds

About 2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]

2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene] (PubChem CID 118965145) has the molecular formula C27H17F3O and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
PubChem CID118965145
Molecular FormulaC27H17F3O
Molecular Weight414.43 g/mol
Exact Mass414.12
IUPAC Name2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
SMILESCc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(F)(F)F)ccc1-2
InChIInChI=1S/C27H17F3O/c1-16-10-12-18-19-13-11-17(27(28,29)30)15-23(19)26(22(18)14-16)20-6-2-4-8-24(20)31-25-9-5-3-7-21(25)26/h2-15H,1H3
InChIKeyOPCGVYXKTMZZRU-UHFFFAOYSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.43
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965533
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]
CID 163796128
9,9-bis(3-tert-butylphenyl)-2-methylfluorene;2',7'-ditert-butyl-2-methyl-9,9'-spirobi[fluorene];2-methylspiro[fluorene-9,9'-xanthene];2'-methylspiro[fluorene-9,9'-xanthene];4'-methylspiro[fluorene-9,9'-xanthene]
CID 163917294
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
CID 58607554
CID 58607554
2-methyl-7-(trifluoromethyl)tetraphenylene
CID 162399376
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene
CID 122379413
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene] (CID 118965145) is 2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene] is Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(F)(F)F)ccc1-2.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is OPCGVYXKTMZZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3O/c1-16-10-12-18-19-13-11-17(27(28,29)30)15-23(19)26(22(18)14-16)20-6-2-4-8-24(20)31-25-9-5-3-7-21(25)26/h2-15H,1H3.
What are the key properties of 2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]?
2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 414.43 g/mol, XLogP of 7.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 118965145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).