9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene

C20H12BrF3 — CID 174538967

IUPAC9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene
SMILESFC(F)(F)c1cc(Br)cc(C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C20H12BrF3/c21-14-10-12(9-13(11-14)20(22,23)24)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19H
InChIKeyGMMYVKAOMVRBOQ-UHFFFAOYSA-N
MW389.21 g/mol
LogP6.63
Rot. Bonds1

About 9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene

9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene (PubChem CID 174538967) has the molecular formula C20H12BrF3 and a molecular weight of 389.21 g/mol. Its IUPAC name is 9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene.

Molecular Properties

Compound Name9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene
PubChem CID174538967
Molecular FormulaC20H12BrF3
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Name9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene
SMILESFC(F)(F)c1cc(Br)cc(C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C20H12BrF3/c21-14-10-12(9-13(11-14)20(22,23)24)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19H
InChIKeyGMMYVKAOMVRBOQ-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.21
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene?
The IUPAC name of 9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene (CID 174538967) is 9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene.
What is the SMILES notation for 9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene?
The canonical SMILES for 9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene is FC(F)(F)c1cc(Br)cc(C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene?
The InChIKey is GMMYVKAOMVRBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrF3/c21-14-10-12(9-13(11-14)20(22,23)24)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19H.
What are the key properties of 9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene?
9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene has a molecular weight of 389.21 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-bromo-5-(trifluoromethyl)phenyl]-9H-fluorene is sourced from PubChem (CID 174538967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).