7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene

C19H18BrF3 — CID 118525837

IUPAC7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2ccc(CBr)cc2C1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18BrF3/c1-12-6-8-14-9-7-13(11-20)10-16(14)18(12)15-4-2-3-5-17(15)19(21,22)23/h2-5,7,9-10,12,18H,6,8,11H2,1H3
InChIKeyWNUIOSIOWUWOQF-UHFFFAOYSA-N
MW383.25 g/mol
LogP6.31
Rot. Bonds2

About 7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene

7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 118525837) has the molecular formula C19H18BrF3 and a molecular weight of 383.25 g/mol. Its IUPAC name is 7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID118525837
Molecular FormulaC19H18BrF3
Molecular Weight383.25 g/mol
Exact Mass382.05
IUPAC Name7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2ccc(CBr)cc2C1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18BrF3/c1-12-6-8-14-9-7-13(11-20)10-16(14)18(12)15-4-2-3-5-17(15)19(21,22)23/h2-5,7,9-10,12,18H,6,8,11H2,1H3
InChIKeyWNUIOSIOWUWOQF-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.25
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 144962362
5-(bromomethyl)-1-methyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene
CID 118526379
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CID 118593677
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CID 174684622
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5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5136391
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-4-methylpiperazine
CID 107078953
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-3,5-dimethylpiperidine
CID 107079467
4-(bromomethyl)-N-methyl-N-(2-methylphenyl)-2-(trifluoromethyl)aniline
CID 107082578
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-4,4-dimethylpiperidine
CID 107082943
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 118525837) is 7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene is CC1CCc2ccc(CBr)cc2C1c1ccccc1C(F)(F)F.
What is the InChIKey of 7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WNUIOSIOWUWOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF3/c1-12-6-8-14-9-7-13(11-20)10-16(14)18(12)15-4-2-3-5-17(15)19(21,22)23/h2-5,7,9-10,12,18H,6,8,11H2,1H3.
What are the key properties of 7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 383.25 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 118525837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).