2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene

C17H12F6O — CID 142358340

IUPAC2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene
SMILESCc1cc2c(cc1C)C(C(F)(F)F)(C(F)(F)F)c1ccccc1O2
InChIInChI=1S/C17H12F6O/c1-9-7-12-14(8-10(9)2)24-13-6-4-3-5-11(13)15(12,16(18,19)20)17(21,22)23/h3-8H,1-2H3
InChIKeyYOVGMGAGOVCIEY-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.82
Rot. Bonds

About 2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene

2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene (PubChem CID 142358340) has the molecular formula C17H12F6O and a molecular weight of 346.27 g/mol. Its IUPAC name is 2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene.

Molecular Properties

Compound Name2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene
PubChem CID142358340
Molecular FormulaC17H12F6O
Molecular Weight346.27 g/mol
Exact Mass346.08
IUPAC Name2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene
SMILESCc1cc2c(cc1C)C(C(F)(F)F)(C(F)(F)F)c1ccccc1O2
InChIInChI=1S/C17H12F6O/c1-9-7-12-14(8-10(9)2)24-13-6-4-3-5-11(13)15(12,16(18,19)20)17(21,22)23/h3-8H,1-2H3
InChIKeyYOVGMGAGOVCIEY-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene
CID 15180803
2,3,6,7-tetramethyl-9-(1,1,2,2,2-pentafluoroethyl)-9-(trifluoromethyl)xanthene
CID 15180817
2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene
CID 15180812
9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene
CID 121279075
14,14,18,18-tetrakis(trifluoromethyl)-4,9,23,28-tetraoxaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(17),2,5(13),6,11,15,19(27),20,25-nonaene-8,10,22,24-tetrone
CID 54033498
N,N,9-trimethylxanthen-9-amine
CID 68833214
9,9-bis(3-methylphenyl)xanthene
CID 23542272
1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]
CID 122222950
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
methyl 2-(trifluoromethyl)spiro[thiirane-3,9'-xanthene]-2-carboxylate
CID 134928701
2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
3,7-diamino-9,9-bis(trifluoromethyl)xanthene-2,6-diol
CID 59709573

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene?
The IUPAC name of 2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene (CID 142358340) is 2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene.
What is the SMILES notation for 2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene?
The canonical SMILES for 2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene is Cc1cc2c(cc1C)C(C(F)(F)F)(C(F)(F)F)c1ccccc1O2.
What is the InChIKey of 2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene?
The InChIKey is YOVGMGAGOVCIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6O/c1-9-7-12-14(8-10(9)2)24-13-6-4-3-5-11(13)15(12,16(18,19)20)17(21,22)23/h3-8H,1-2H3.
What are the key properties of 2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene?
2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene has a molecular weight of 346.27 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene is sourced from PubChem (CID 142358340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).