8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene

C19H15F3O — CID 174541152

IUPAC8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene
SMILESFC(F)(F)Oc1ccc2c(ccc3c4c(ccc32)CCCC4)c1
InChIInChI=1S/C19H15F3O/c20-19(21,22)23-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h5-11H,1-4H2
InChIKeyWWEADEMQNAXZMD-UHFFFAOYSA-N
MW316.32 g/mol
LogP5.77
Rot. Bonds1

About 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene

8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene (PubChem CID 174541152) has the molecular formula C19H15F3O and a molecular weight of 316.32 g/mol. Its IUPAC name is 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene
PubChem CID174541152
Molecular FormulaC19H15F3O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC Name8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene
SMILESFC(F)(F)Oc1ccc2c(ccc3c4c(ccc32)CCCC4)c1
InChIInChI=1S/C19H15F3O/c20-19(21,22)23-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h5-11H,1-4H2
InChIKeyWWEADEMQNAXZMD-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.32
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene with MolForge

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

Launch Full Analysis

Related Compounds

1,2,3,4-tetrahydrochrysene;7-(trifluoromethoxy)isoquinoline
CID 174697385
7,8,9,10-tetrahydrochrysen-2-amine
CID 174397355
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
6-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 14828207
heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene
CID 20823197
1-fluoro-6-(trifluoromethoxy)naphthalene
CID 133084221
2-(trifluoromethoxy)triphenylene
CID 154001040
7-methoxyquinoline;1,2,3,4-tetrahydrochrysene
CID 174377891
phenol;1,2,3,4-tetrahydrochrysene
CID 174851188

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene (CID 174541152) is 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene is FC(F)(F)Oc1ccc2c(ccc3c4c(ccc32)CCCC4)c1.
What is the InChIKey of 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene?
The InChIKey is WWEADEMQNAXZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3O/c20-19(21,22)23-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h5-11H,1-4H2.
What are the key properties of 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene?
8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene has a molecular weight of 316.32 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethoxy)-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174541152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).