2,3-bis(trifluoromethyl)tetracene

C20H10F6 — CID 22151700

IUPAC2,3-bis(trifluoromethyl)tetracene
SMILESFC(F)(F)c1cc2cc3cc4ccccc4cc3cc2cc1C(F)(F)F
InChIInChI=1S/C20H10F6/c21-19(22,23)17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18(17)20(24,25)26/h1-10H
InChIKeyBKRZOUGFPQRPBJ-UHFFFAOYSA-N
MW364.29 g/mol
LogP7.18
Rot. Bonds

About 2,3-bis(trifluoromethyl)tetracene

2,3-bis(trifluoromethyl)tetracene (PubChem CID 22151700) has the molecular formula C20H10F6 and a molecular weight of 364.29 g/mol. Its IUPAC name is 2,3-bis(trifluoromethyl)tetracene.

Molecular Properties

Compound Name2,3-bis(trifluoromethyl)tetracene
PubChem CID22151700
Molecular FormulaC20H10F6
Molecular Weight364.29 g/mol
Exact Mass364.07
IUPAC Name2,3-bis(trifluoromethyl)tetracene
SMILESFC(F)(F)c1cc2cc3cc4ccccc4cc3cc2cc1C(F)(F)F
InChIInChI=1S/C20H10F6/c21-19(22,23)17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18(17)20(24,25)26/h1-10H
InChIKeyBKRZOUGFPQRPBJ-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.29
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Benzo(K)Fluoranthene
CID 9158
Chrysene
CID 9171

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trifluoromethyl)tetracene?
The IUPAC name of 2,3-bis(trifluoromethyl)tetracene (CID 22151700) is 2,3-bis(trifluoromethyl)tetracene.
What is the SMILES notation for 2,3-bis(trifluoromethyl)tetracene?
The canonical SMILES for 2,3-bis(trifluoromethyl)tetracene is FC(F)(F)c1cc2cc3cc4ccccc4cc3cc2cc1C(F)(F)F.
What is the InChIKey of 2,3-bis(trifluoromethyl)tetracene?
The InChIKey is BKRZOUGFPQRPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6/c21-19(22,23)17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18(17)20(24,25)26/h1-10H.
What are the key properties of 2,3-bis(trifluoromethyl)tetracene?
2,3-bis(trifluoromethyl)tetracene has a molecular weight of 364.29 g/mol, XLogP of 7.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trifluoromethyl)tetracene is sourced from PubChem (CID 22151700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).