2-(trifluoromethoxy)triphenylene

C19H11F3O — CID 154001040

IUPAC2-(trifluoromethoxy)triphenylene
SMILESFC(F)(F)Oc1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C19H11F3O/c20-19(21,22)23-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
InChIKeyYOOSNZPHNMDLMN-UHFFFAOYSA-N
MW312.29 g/mol
LogP6.04
Rot. Bonds1

About 2-(trifluoromethoxy)triphenylene

2-(trifluoromethoxy)triphenylene (PubChem CID 154001040) has the molecular formula C19H11F3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-(trifluoromethoxy)triphenylene.

Molecular Properties

Compound Name2-(trifluoromethoxy)triphenylene
PubChem CID154001040
Molecular FormulaC19H11F3O
Molecular Weight312.29 g/mol
Exact Mass312.08
IUPAC Name2-(trifluoromethoxy)triphenylene
SMILESFC(F)(F)Oc1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C19H11F3O/c20-19(21,22)23-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
InChIKeyYOOSNZPHNMDLMN-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.29
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(trifluoromethoxy)phenanthridin-6-one
CID 138967804
9-ethyl-3-(trifluoromethoxy)carbazole
CID 150548469
1-fluoro-6-(trifluoromethoxy)naphthalene
CID 133084221
trifluoromethoxybenzene
CID 157402708
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
CID 170391358
trifluoromethoxybenzene fluoride
CID 158305019
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
CID 143206169
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine
CID 102531409
2-phenyl-4-(trifluoromethoxy)benzenethiol
CID 90189291

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)triphenylene?
The IUPAC name of 2-(trifluoromethoxy)triphenylene (CID 154001040) is 2-(trifluoromethoxy)triphenylene.
What is the SMILES notation for 2-(trifluoromethoxy)triphenylene?
The canonical SMILES for 2-(trifluoromethoxy)triphenylene is FC(F)(F)Oc1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 2-(trifluoromethoxy)triphenylene?
The InChIKey is YOOSNZPHNMDLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3O/c20-19(21,22)23-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H.
What are the key properties of 2-(trifluoromethoxy)triphenylene?
2-(trifluoromethoxy)triphenylene has a molecular weight of 312.29 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)triphenylene is sourced from PubChem (CID 154001040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).