2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene

C19H16F6O — CID 15180803

IUPAC2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene
SMILESCc1cc2c(cc1C)C(C(F)(F)F)(C(F)(F)F)c1cc(C)c(C)cc1O2
InChIInChI=1S/C19H16F6O/c1-9-5-13-15(7-11(9)3)26-16-8-12(4)10(2)6-14(16)17(13,18(20,21)22)19(23,24)25/h5-8H,1-4H3
InChIKeyMBZVPENZVICHRL-UHFFFAOYSA-N
MW374.32 g/mol
LogP6.44
Rot. Bonds

About 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene

2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene (PubChem CID 15180803) has the molecular formula C19H16F6O and a molecular weight of 374.32 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene
PubChem CID15180803
Molecular FormulaC19H16F6O
Molecular Weight374.32 g/mol
Exact Mass374.11
IUPAC Name2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene
SMILESCc1cc2c(cc1C)C(C(F)(F)F)(C(F)(F)F)c1cc(C)c(C)cc1O2
InChIInChI=1S/C19H16F6O/c1-9-5-13-15(7-11(9)3)26-16-8-12(4)10(2)6-14(16)17(13,18(20,21)22)19(23,24)25/h5-8H,1-4H3
InChIKeyMBZVPENZVICHRL-UHFFFAOYSA-N
XLogP6.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene?
The IUPAC name of 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene (CID 15180803) is 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene.
What is the SMILES notation for 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene?
The canonical SMILES for 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene is Cc1cc2c(cc1C)C(C(F)(F)F)(C(F)(F)F)c1cc(C)c(C)cc1O2.
What is the InChIKey of 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene?
The InChIKey is MBZVPENZVICHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6O/c1-9-5-13-15(7-11(9)3)26-16-8-12(4)10(2)6-14(16)17(13,18(20,21)22)19(23,24)25/h5-8H,1-4H3.
What are the key properties of 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene?
2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene has a molecular weight of 374.32 g/mol, XLogP of 6.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene is sourced from PubChem (CID 15180803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).