2-bromo-9,9-bis(trifluoromethyl)fluorene

C15H7BrF6 — CID 53487913

IUPAC2-bromo-9,9-bis(trifluoromethyl)fluorene
SMILESFC(F)(F)C1(C(F)(F)F)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C15H7BrF6/c16-8-5-6-10-9-3-1-2-4-11(9)13(12(10)7-8,14(17,18)19)15(20,21)22/h1-7H
InChIKeyQKPPIGNALJLGKH-UHFFFAOYSA-N
MW381.11 g/mol
LogP5.84
Rot. Bonds

About 2-bromo-9,9-bis(trifluoromethyl)fluorene

2-bromo-9,9-bis(trifluoromethyl)fluorene (PubChem CID 53487913) has the molecular formula C15H7BrF6 and a molecular weight of 381.11 g/mol. Its IUPAC name is 2-bromo-9,9-bis(trifluoromethyl)fluorene.

Molecular Properties

Compound Name2-bromo-9,9-bis(trifluoromethyl)fluorene
PubChem CID53487913
Molecular FormulaC15H7BrF6
Molecular Weight381.11 g/mol
Exact Mass379.96
IUPAC Name2-bromo-9,9-bis(trifluoromethyl)fluorene
SMILESFC(F)(F)C1(C(F)(F)F)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C15H7BrF6/c16-8-5-6-10-9-3-1-2-4-11(9)13(12(10)7-8,14(17,18)19)15(20,21)22/h1-7H
InChIKeyQKPPIGNALJLGKH-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.11
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-bis(trifluoromethyl)fluorene?
The IUPAC name of 2-bromo-9,9-bis(trifluoromethyl)fluorene (CID 53487913) is 2-bromo-9,9-bis(trifluoromethyl)fluorene.
What is the SMILES notation for 2-bromo-9,9-bis(trifluoromethyl)fluorene?
The canonical SMILES for 2-bromo-9,9-bis(trifluoromethyl)fluorene is FC(F)(F)C1(C(F)(F)F)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9,9-bis(trifluoromethyl)fluorene?
The InChIKey is QKPPIGNALJLGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrF6/c16-8-5-6-10-9-3-1-2-4-11(9)13(12(10)7-8,14(17,18)19)15(20,21)22/h1-7H.
What are the key properties of 2-bromo-9,9-bis(trifluoromethyl)fluorene?
2-bromo-9,9-bis(trifluoromethyl)fluorene has a molecular weight of 381.11 g/mol, XLogP of 5.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-bis(trifluoromethyl)fluorene is sourced from PubChem (CID 53487913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).