1-bromo-2-(trifluoromethyl)naphthalene

C11H6BrF3 — CID 3118927

IUPAC1-bromo-2-(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1ccc2ccccc2c1Br
InChIInChI=1S/C11H6BrF3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13,14)15/h1-6H
InChIKeyRFOANEAFTSCOBB-UHFFFAOYSA-N
MW275.07 g/mol
LogP4.62
Rot. Bonds

About 1-bromo-2-(trifluoromethyl)naphthalene

1-bromo-2-(trifluoromethyl)naphthalene (PubChem CID 3118927) has the molecular formula C11H6BrF3 and a molecular weight of 275.07 g/mol. Its IUPAC name is 1-bromo-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1-bromo-2-(trifluoromethyl)naphthalene
PubChem CID3118927
Molecular FormulaC11H6BrF3
Molecular Weight275.07 g/mol
Exact Mass273.96
IUPAC Name1-bromo-2-(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1ccc2ccccc2c1Br
InChIInChI=1S/C11H6BrF3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13,14)15/h1-6H
InChIKeyRFOANEAFTSCOBB-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.07
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-Bromophenanthrene
CID 11309
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
1-Bromonaphthalene
CID 7001
1,4-Dibromonaphthalene
CID 66521
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
1-Bromo-2-methylnaphthalene
CID 75754
1-Bromo-4-methylnaphthalene
CID 81112
1,8-Dibromonaphthalene
CID 625356
1,5-Dibromonaphthalene
CID 637960

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(trifluoromethyl)naphthalene?
The IUPAC name of 1-bromo-2-(trifluoromethyl)naphthalene (CID 3118927) is 1-bromo-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1-bromo-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 1-bromo-2-(trifluoromethyl)naphthalene is FC(F)(F)c1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-(trifluoromethyl)naphthalene?
The InChIKey is RFOANEAFTSCOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13,14)15/h1-6H.
What are the key properties of 1-bromo-2-(trifluoromethyl)naphthalene?
1-bromo-2-(trifluoromethyl)naphthalene has a molecular weight of 275.07 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 3118927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).