9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene

C18H15F3O — CID 85416858

IUPAC9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene
SMILESCOC(c1c2ccccc2c(C)c2ccccc12)C(F)(F)F
InChIInChI=1S/C18H15F3O/c1-11-12-7-3-5-9-14(12)16(17(22-2)18(19,20)21)15-10-6-4-8-13(11)15/h3-10,17H,1-2H3
InChIKeyWHQBIORPCFKJJC-UHFFFAOYSA-N
MW304.31 g/mol
LogP5.55
Rot. Bonds2

About 9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene

9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene (PubChem CID 85416858) has the molecular formula C18H15F3O and a molecular weight of 304.31 g/mol. Its IUPAC name is 9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene.

Molecular Properties

Compound Name9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene
PubChem CID85416858
Molecular FormulaC18H15F3O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene
SMILESCOC(c1c2ccccc2c(C)c2ccccc12)C(F)(F)F
InChIInChI=1S/C18H15F3O/c1-11-12-7-3-5-9-14(12)16(17(22-2)18(19,20)21)15-10-6-4-8-13(11)15/h3-10,17H,1-2H3
InChIKeyWHQBIORPCFKJJC-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.31
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6b,7a-Dihydrobenzo(10,11)chryseno(1,2-b)oxirene
CID 37455
1-(1-Pyrenyl)ethanol
CID 119118
2-(Naphthalen-2-yl)oxirane
CID 30333
1-Naphthylmethyl methyl ether
CID 22195
8b,9a-Dihydropyreno(4,5-b)oxirene
CID 108016
9-Hydroxymethyl-10-methylanthracene
CID 114974
1a,11b-Dihydrochryseno(5,6-b)oxirene
CID 27062
2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
CID 18546500
(2R)-2-(4-methylnaphthalen-1-yl)-2,3-dihydropyran-6-one
CID 44570286
1-(Anthracen-9-yl)ethanol
CID 343926
2,2,2-Trifluoro-1-(9-anthryl)ethanol
CID 103802
Acetic acid 10-acetoxymethyl-anthracen-9-ylmethyl ester
CID 613145

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene?
The IUPAC name of 9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene (CID 85416858) is 9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene.
What is the SMILES notation for 9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene?
The canonical SMILES for 9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene is COC(c1c2ccccc2c(C)c2ccccc12)C(F)(F)F.
What is the InChIKey of 9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene?
The InChIKey is WHQBIORPCFKJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O/c1-11-12-7-3-5-9-14(12)16(17(22-2)18(19,20)21)15-10-6-4-8-13(11)15/h3-10,17H,1-2H3.
What are the key properties of 9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene?
9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene has a molecular weight of 304.31 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-(2,2,2-trifluoro-1-methoxyethyl)anthracene is sourced from PubChem (CID 85416858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).