2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene

C15H9Br2F3 — CID 59005071

IUPAC2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene
SMILESCC1(C(F)(F)F)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C15H9Br2F3/c1-14(15(18,19)20)12-6-8(16)2-4-10(12)11-5-3-9(17)7-13(11)14/h2-7H,1H3
InChIKeyMJAQURHXSQJKDA-UHFFFAOYSA-N
MW406.04 g/mol
LogP6.06
Rot. Bonds

About 2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene

2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene (PubChem CID 59005071) has the molecular formula C15H9Br2F3 and a molecular weight of 406.04 g/mol. Its IUPAC name is 2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene
PubChem CID59005071
Molecular FormulaC15H9Br2F3
Molecular Weight406.04 g/mol
Exact Mass403.90
IUPAC Name2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene
SMILESCC1(C(F)(F)F)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C15H9Br2F3/c1-14(15(18,19)20)12-6-8(16)2-4-10(12)11-5-3-9(17)7-13(11)14/h2-7H,1H3
InChIKeyMJAQURHXSQJKDA-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.04
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene?
The IUPAC name of 2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene (CID 59005071) is 2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene.
What is the SMILES notation for 2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene?
The canonical SMILES for 2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene is CC1(C(F)(F)F)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene?
The InChIKey is MJAQURHXSQJKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2F3/c1-14(15(18,19)20)12-6-8(16)2-4-10(12)11-5-3-9(17)7-13(11)14/h2-7H,1H3.
What are the key properties of 2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene?
2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene has a molecular weight of 406.04 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-methyl-9-(trifluoromethyl)fluorene is sourced from PubChem (CID 59005071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).