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

C19H17F5O — CID 121279075

IUPAC9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene
SMILESCc1cc2c(cc1C)C(C(F)F)(C(F)(F)F)c1cc(C)c(C)cc1O2
InChIInChI=1S/C19H17F5O/c1-9-5-13-15(7-11(9)3)25-16-8-12(4)10(2)6-14(16)18(13,17(20)21)19(22,23)24/h5-8,17H,1-4H3
InChIKeyFBCJFTFUAIYJKA-UHFFFAOYSA-N
MW356.33 g/mol
LogP6.14
Rot. Bonds1

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

9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene (PubChem CID 121279075) has the molecular formula C19H17F5O and a molecular weight of 356.33 g/mol. Its IUPAC name is 9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene.

Molecular Properties

Compound Name9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene
PubChem CID121279075
Molecular FormulaC19H17F5O
Molecular Weight356.33 g/mol
Exact Mass356.12
IUPAC Name9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene
SMILESCc1cc2c(cc1C)C(C(F)F)(C(F)(F)F)c1cc(C)c(C)cc1O2
InChIInChI=1S/C19H17F5O/c1-9-5-13-15(7-11(9)3)25-16-8-12(4)10(2)6-14(16)18(13,17(20)21)19(22,23)24/h5-8,17H,1-4H3
InChIKeyFBCJFTFUAIYJKA-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.33
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene?
The IUPAC name of 9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene (CID 121279075) is 9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene.
What is the SMILES notation for 9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene?
The canonical SMILES for 9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene is Cc1cc2c(cc1C)C(C(F)F)(C(F)(F)F)c1cc(C)c(C)cc1O2.
What is the InChIKey of 9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene?
The InChIKey is FBCJFTFUAIYJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5O/c1-9-5-13-15(7-11(9)3)25-16-8-12(4)10(2)6-14(16)18(13,17(20)21)19(22,23)24/h5-8,17H,1-4H3.
What are the key properties of 9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene?
9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene has a molecular weight of 356.33 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene is sourced from PubChem (CID 121279075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).