2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine

C13H11BrF3NO — CID 137424254

IUPAC2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C13H11BrF3NO/c14-9-3-1-8(2-4-9)7-10(18)11-5-6-12(19-11)13(15,16)17/h1-6,10H,7,18H2
InChIKeyZMUPQADNAPTGKS-UHFFFAOYSA-N
MW334.14 g/mol
LogP4.30
Rot. Bonds3

About 2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine

2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine (PubChem CID 137424254) has the molecular formula C13H11BrF3NO and a molecular weight of 334.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine
PubChem CID137424254
Molecular FormulaC13H11BrF3NO
Molecular Weight334.14 g/mol
Exact Mass333.00
IUPAC Name2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C13H11BrF3NO/c14-9-3-1-8(2-4-9)7-10(18)11-5-6-12(19-11)13(15,16)17/h1-6,10H,7,18H2
InChIKeyZMUPQADNAPTGKS-UHFFFAOYSA-N
XLogP4.30
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine (CID 137424254) is 2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine is NC(Cc1ccc(Br)cc1)c1ccc(C(F)(F)F)o1.
What is the InChIKey of 2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine?
The InChIKey is ZMUPQADNAPTGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NO/c14-9-3-1-8(2-4-9)7-10(18)11-5-6-12(19-11)13(15,16)17/h1-6,10H,7,18H2.
What are the key properties of 2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine?
2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine has a molecular weight of 334.14 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[5-(trifluoromethyl)furan-2-yl]ethanamine is sourced from PubChem (CID 137424254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).