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

C17H13F3O — CID 613508

IUPAC9-(2,2,2-trifluoro-1-methoxyethyl)anthracene
SMILESCOC(c1c2ccccc2cc2ccccc12)C(F)(F)F
InChIInChI=1S/C17H13F3O/c1-21-16(17(18,19)20)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10,16H,1H3
InChIKeyRLRMJMUQHVGSEW-UHFFFAOYSA-N
MW290.28 g/mol
LogP5.24
Rot. Bonds2

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

9-(2,2,2-trifluoro-1-methoxyethyl)anthracene (PubChem CID 613508) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is 9-(2,2,2-trifluoro-1-methoxyethyl)anthracene.

Molecular Properties

Compound Name9-(2,2,2-trifluoro-1-methoxyethyl)anthracene
PubChem CID613508
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name9-(2,2,2-trifluoro-1-methoxyethyl)anthracene
SMILESCOC(c1c2ccccc2cc2ccccc12)C(F)(F)F
InChIInChI=1S/C17H13F3O/c1-21-16(17(18,19)20)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10,16H,1H3
InChIKeyRLRMJMUQHVGSEW-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.28
LogP ≤ 55.24
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

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Bis[bis(2-methylphenyl)methyl] ether
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(2R)-2-(2-methylnaphthalen-1-yl)-2,3-dihydropyran-6-one
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1-(Anthracen-9-yl)ethanol
CID 343926
Naphthalan
CID 588214
2,2,2-Trifluoro-1-(9-anthryl)ethanol
CID 103802
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CID 613145

Frequently Asked Questions

What is the IUPAC name of 9-(2,2,2-trifluoro-1-methoxyethyl)anthracene?
The IUPAC name of 9-(2,2,2-trifluoro-1-methoxyethyl)anthracene (CID 613508) is 9-(2,2,2-trifluoro-1-methoxyethyl)anthracene.
What is the SMILES notation for 9-(2,2,2-trifluoro-1-methoxyethyl)anthracene?
The canonical SMILES for 9-(2,2,2-trifluoro-1-methoxyethyl)anthracene is COC(c1c2ccccc2cc2ccccc12)C(F)(F)F.
What is the InChIKey of 9-(2,2,2-trifluoro-1-methoxyethyl)anthracene?
The InChIKey is RLRMJMUQHVGSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c1-21-16(17(18,19)20)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10,16H,1H3.
What are the key properties of 9-(2,2,2-trifluoro-1-methoxyethyl)anthracene?
9-(2,2,2-trifluoro-1-methoxyethyl)anthracene has a molecular weight of 290.28 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2,2-trifluoro-1-methoxyethyl)anthracene is sourced from PubChem (CID 613508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).