2-methyl-7-(trifluoromethyl)tetraphenylene

C26H17F3 — CID 162399376

IUPAC2-methyl-7-(trifluoromethyl)tetraphenylene
SMILESCc1ccc2c(c1)-c1ccccc1-c1ccccc1-c1cc(C(F)(F)F)ccc1-2
InChIInChI=1S/C26H17F3/c1-16-10-12-22-23-13-11-17(26(27,28)29)15-25(23)21-9-5-3-7-19(21)18-6-2-4-8-20(18)24(22)14-16/h2-15H,1H3/b19-18-,23-22-,24-20-,25-21-
InChIKeyZUDDDZJCUKGPGM-UNUBAYCSSA-N
MW386.42 g/mol
LogP8.00
Rot. Bonds

About 2-methyl-7-(trifluoromethyl)tetraphenylene

2-methyl-7-(trifluoromethyl)tetraphenylene (PubChem CID 162399376) has the molecular formula C26H17F3 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)tetraphenylene.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)tetraphenylene
PubChem CID162399376
Molecular FormulaC26H17F3
Molecular Weight386.42 g/mol
Exact Mass386.13
IUPAC Name2-methyl-7-(trifluoromethyl)tetraphenylene
SMILESCc1ccc2c(c1)-c1ccccc1-c1ccccc1-c1cc(C(F)(F)F)ccc1-2
InChIInChI=1S/C26H17F3/c1-16-10-12-22-23-13-11-17(26(27,28)29)15-25(23)21-9-5-3-7-19(21)18-6-2-4-8-20(18)24(22)14-16/h2-15H,1H3/b19-18-,23-22-,24-20-,25-21-
InChIKeyZUDDDZJCUKGPGM-UNUBAYCSSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)tetraphenylene?
The IUPAC name of 2-methyl-7-(trifluoromethyl)tetraphenylene (CID 162399376) is 2-methyl-7-(trifluoromethyl)tetraphenylene.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)tetraphenylene?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)tetraphenylene is Cc1ccc2c(c1)-c1ccccc1-c1ccccc1-c1cc(C(F)(F)F)ccc1-2.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)tetraphenylene?
The InChIKey is ZUDDDZJCUKGPGM-UNUBAYCSSA-N. The full InChI is InChI=1S/C26H17F3/c1-16-10-12-22-23-13-11-17(26(27,28)29)15-25(23)21-9-5-3-7-19(21)18-6-2-4-8-20(18)24(22)14-16/h2-15H,1H3/b19-18-,23-22-,24-20-,25-21-.
What are the key properties of 2-methyl-7-(trifluoromethyl)tetraphenylene?
2-methyl-7-(trifluoromethyl)tetraphenylene has a molecular weight of 386.42 g/mol, XLogP of 8.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)tetraphenylene is sourced from PubChem (CID 162399376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).