6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene

C11H10BrF3O — CID 134209484

IUPAC6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCc1c(Br)cc(C(F)(F)F)c2c1CCCO2
InChIInChI=1S/C11H10BrF3O/c1-6-7-3-2-4-16-10(7)8(5-9(6)12)11(13,14)15/h5H,2-4H2,1H3
InChIKeyJNWJKRNFRQPFCY-UHFFFAOYSA-N
MW295.10 g/mol
LogP4.10
Rot. Bonds

About 6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene

6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 134209484) has the molecular formula C11H10BrF3O and a molecular weight of 295.10 g/mol. Its IUPAC name is 6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID134209484
Molecular FormulaC11H10BrF3O
Molecular Weight295.10 g/mol
Exact Mass293.99
IUPAC Name6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCc1c(Br)cc(C(F)(F)F)c2c1CCCO2
InChIInChI=1S/C11H10BrF3O/c1-6-7-3-2-4-16-10(7)8(5-9(6)12)11(13,14)15/h5H,2-4H2,1H3
InChIKeyJNWJKRNFRQPFCY-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 134209484) is 6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene is Cc1c(Br)cc(C(F)(F)F)c2c1CCCO2.
What is the InChIKey of 6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is JNWJKRNFRQPFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3O/c1-6-7-3-2-4-16-10(7)8(5-9(6)12)11(13,14)15/h5H,2-4H2,1H3.
What are the key properties of 6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 295.10 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 134209484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).