2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene

C20H16BrF3 — CID 141375101

IUPAC2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene
SMILESCCc1c(Br)cc(-c2ccc(C)cc2)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C20H16BrF3/c1-3-15-18-10-14(20(22,23)24)8-9-16(18)17(11-19(15)21)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3
InChIKeyRIWSTCFPHIPOMX-UHFFFAOYSA-N
MW393.25 g/mol
LogP7.16
Rot. Bonds2

About 2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene

2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene (PubChem CID 141375101) has the molecular formula C20H16BrF3 and a molecular weight of 393.25 g/mol. Its IUPAC name is 2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene
PubChem CID141375101
Molecular FormulaC20H16BrF3
Molecular Weight393.25 g/mol
Exact Mass392.04
IUPAC Name2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene
SMILESCCc1c(Br)cc(-c2ccc(C)cc2)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C20H16BrF3/c1-3-15-18-10-14(20(22,23)24)8-9-16(18)17(11-19(15)21)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3
InChIKeyRIWSTCFPHIPOMX-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.25
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,10-Dibromoanthracene
CID 68226
6-Bromobenzo(a)pyrene
CID 30545
9-Bromophenanthrene
CID 11309
9-Bromoanthracene
CID 74062
7-Bromobenz(a)anthracene
CID 72849
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromo-2-methylnaphthalene
CID 75754
1-Bromo-4-methylnaphthalene
CID 81112
1-Bromopyrene
CID 159627
9-Bromo-10-phenyl-anthracene
CID 4155836
1,3,6,8-Tetrabromopyrene
CID 67188
[(3-Bromo-7-methylnaphthalen-2-yl)-difluoromethyl]phosphonic acid
CID 25056374

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene?
The IUPAC name of 2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene (CID 141375101) is 2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene.
What is the SMILES notation for 2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene?
The canonical SMILES for 2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene is CCc1c(Br)cc(-c2ccc(C)cc2)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene?
The InChIKey is RIWSTCFPHIPOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrF3/c1-3-15-18-10-14(20(22,23)24)8-9-16(18)17(11-19(15)21)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3.
What are the key properties of 2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene?
2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene has a molecular weight of 393.25 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-4-(4-methylphenyl)-7-(trifluoromethyl)naphthalene is sourced from PubChem (CID 141375101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).