2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline

C9H9BrF3N — CID 82757110

IUPAC2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCc1ccc(Br)c(NCC(F)(F)F)c1
InChIInChI=1S/C9H9BrF3N/c1-6-2-3-7(10)8(4-6)14-5-9(11,12)13/h2-4,14H,5H2,1H3
InChIKeySVJVAQXBMUTYKN-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.73
Rot. Bonds2

About 2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline

2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 82757110) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID82757110
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCc1ccc(Br)c(NCC(F)(F)F)c1
InChIInChI=1S/C9H9BrF3N/c1-6-2-3-7(10)8(4-6)14-5-9(11,12)13/h2-4,14H,5H2,1H3
InChIKeySVJVAQXBMUTYKN-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromo-5-(trifluoromethyl)benzenamine
CID 67989
N-benzyl-4-bromoaniline
CID 961575
N-Benzyl-3-bromoaniline
CID 9965096
N-(propan-2-yl)-3-(trifluoromethyl)aniline
CID 14555378
4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
CID 688191
4-[(E)-2-(4-bromophenyl)ethenyl]-N-methylaniline
CID 49870902
N-methyl-3-(trifluoromethyl)aniline
CID 2783214
N-Allyl-3-(trifluoromethyl)aniline
CID 3017247
2-bromo-N-ethyl-4-(trifluoromethyl)aniline
CID 115511426
2-Bromo-N,N,5-trimethylaniline
CID 3355354
N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
CID 11746827
2-bromo-N,4-dimethylaniline
CID 13156648

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 82757110) is 2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline is Cc1ccc(Br)c(NCC(F)(F)F)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is SVJVAQXBMUTYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c1-6-2-3-7(10)8(4-6)14-5-9(11,12)13/h2-4,14H,5H2,1H3.
What are the key properties of 2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline?
2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 268.08 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 82757110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).