4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline

C11H7BrF3NS — CID 61318616

IUPAC4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccc(Br)s2)c(C(F)(F)F)c1
InChIInChI=1S/C11H7BrF3NS/c12-10-4-3-9(17-10)7-2-1-6(16)5-8(7)11(13,14)15/h1-5H,16H2
InChIKeyJCRNCCVQVPYPHM-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.78
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline

4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline (PubChem CID 61318616) has the molecular formula C11H7BrF3NS and a molecular weight of 322.15 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline
PubChem CID61318616
Molecular FormulaC11H7BrF3NS
Molecular Weight322.15 g/mol
Exact Mass320.94
IUPAC Name4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccc(Br)s2)c(C(F)(F)F)c1
InChIInChI=1S/C11H7BrF3NS/c12-10-4-3-9(17-10)7-2-1-6(16)5-8(7)11(13,14)15/h1-5H,16H2
InChIKeyJCRNCCVQVPYPHM-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-3-(thiophen-3-yl)aniline hydrochloride
CID 126809403
5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2211227
3-[[5-(4-Fluorophenyl)thiophen-2-yl]methyl]-4-methylaniline
CID 53262515
3-[[5-(4-Fluorocyclohexa-1,3-dien-1-yl)thiophen-2-yl]methyl]-4-methylaniline
CID 123658970
3-[Difluoro-[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylaniline
CID 130283515
4-[(E)-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethenyl]aniline
CID 140130300
4-[5-(Trifluoromethyl)thiophen-2-yl]aniline
CID 140197894
3-[5-(4-Fluorophenyl)-4-methylthiophen-2-yl]-4-methylaniline
CID 141464988
5-[4,5-Bis(ethenyl)thiophen-2-yl]-2,4-difluoroaniline
CID 153584091
4-(5-bromothiophen-2-yl)-N-(trifluoromethyl)aniline
CID 155468082
2-Bromo-3-(3-fluoro-4-isocyanophenyl)thiophene
CID 171734913
3-[2-[5-(4-Fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline
CID 174617937

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline (CID 61318616) is 4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline is Nc1ccc(-c2ccc(Br)s2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline?
The InChIKey is JCRNCCVQVPYPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NS/c12-10-4-3-9(17-10)7-2-1-6(16)5-8(7)11(13,14)15/h1-5H,16H2.
What are the key properties of 4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline?
4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline has a molecular weight of 322.15 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 61318616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).