2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene

C23H19F3 — CID 122400473

IUPAC2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene
SMILESCc1ccc2c(c1)C(CCc1ccc(C(F)(F)F)cc1)c1ccccc1-2
InChIInChI=1S/C23H19F3/c1-15-6-12-20-18-4-2-3-5-19(18)21(22(20)14-15)13-9-16-7-10-17(11-8-16)23(24,25)26/h2-8,10-12,14,21H,9,13H2,1H3
InChIKeyZAQHFRZIMPWQQX-UHFFFAOYSA-N
MW352.40 g/mol
LogP6.76
Rot. Bonds3

About 2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene

2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene (PubChem CID 122400473) has the molecular formula C23H19F3 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene.

Molecular Properties

Compound Name2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene
PubChem CID122400473
Molecular FormulaC23H19F3
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene
SMILESCc1ccc2c(c1)C(CCc1ccc(C(F)(F)F)cc1)c1ccccc1-2
InChIInChI=1S/C23H19F3/c1-15-6-12-20-18-4-2-3-5-19(18)21(22(20)14-15)13-9-16-7-10-17(11-8-16)23(24,25)26/h2-8,10-12,14,21H,9,13H2,1H3
InChIKeyZAQHFRZIMPWQQX-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene?
The IUPAC name of 2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene (CID 122400473) is 2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene.
What is the SMILES notation for 2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene?
The canonical SMILES for 2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene is Cc1ccc2c(c1)C(CCc1ccc(C(F)(F)F)cc1)c1ccccc1-2.
What is the InChIKey of 2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene?
The InChIKey is ZAQHFRZIMPWQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3/c1-15-6-12-20-18-4-2-3-5-19(18)21(22(20)14-15)13-9-16-7-10-17(11-8-16)23(24,25)26/h2-8,10-12,14,21H,9,13H2,1H3.
What are the key properties of 2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene?
2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene has a molecular weight of 352.40 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[2-[4-(trifluoromethyl)phenyl]ethyl]-9H-fluorene is sourced from PubChem (CID 122400473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).