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

C27H14F6O — CID 118965533

IUPAC2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
SMILESFC(F)(F)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(F)(F)F)ccc1-2
InChIInChI=1S/C27H14F6O/c28-26(29,30)15-9-11-17-18-12-10-16(27(31,32)33)14-22(18)25(21(17)13-15)19-5-1-3-7-23(19)34-24-8-4-2-6-20(24)25/h1-14H
InChIKeyMAJLXAWEHKKZTA-UHFFFAOYSA-N
MW468.40 g/mol
LogP8.19
Rot. Bonds

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

2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene] (PubChem CID 118965533) has the molecular formula C27H14F6O and a molecular weight of 468.40 g/mol. Its IUPAC name is 2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
PubChem CID118965533
Molecular FormulaC27H14F6O
Molecular Weight468.40 g/mol
Exact Mass468.09
IUPAC Name2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
SMILESFC(F)(F)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(F)(F)F)ccc1-2
InChIInChI=1S/C27H14F6O/c28-26(29,30)15-9-11-17-18-12-10-16(27(31,32)33)14-22(18)25(21(17)13-15)19-5-1-3-7-23(19)34-24-8-4-2-6-20(24)25/h1-14H
InChIKeyMAJLXAWEHKKZTA-UHFFFAOYSA-N
XLogP8.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.40
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]
CID 163796128
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
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
2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 164783629
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956
N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 118446636

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene] (CID 118965533) is 2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene] is FC(F)(F)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(F)(F)F)ccc1-2.
What is the InChIKey of 2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is MAJLXAWEHKKZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F6O/c28-26(29,30)15-9-11-17-18-12-10-16(27(31,32)33)14-22(18)25(21(17)13-15)19-5-1-3-7-23(19)34-24-8-4-2-6-20(24)25/h1-14H.
What are the key properties of 2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]?
2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 468.40 g/mol, XLogP of 8.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 118965533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).