N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline

C12H9BrF3NO — CID 106885045

IUPACN-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCc2occc2Br)c1
InChIInChI=1S/C12H9BrF3NO/c13-10-4-5-18-11(10)7-17-9-3-1-2-8(6-9)12(14,15)16/h1-6,17H,7H2
InChIKeyXGMSDXTUHYXWGB-UHFFFAOYSA-N
MW320.11 g/mol
LogP4.67
Rot. Bonds3

About N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline

N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 106885045) has the molecular formula C12H9BrF3NO and a molecular weight of 320.11 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
PubChem CID106885045
Molecular FormulaC12H9BrF3NO
Molecular Weight320.11 g/mol
Exact Mass318.98
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCc2occc2Br)c1
InChIInChI=1S/C12H9BrF3NO/c13-10-4-5-18-11(10)7-17-9-3-1-2-8(6-9)12(14,15)16/h1-6,17H,7H2
InChIKeyXGMSDXTUHYXWGB-UHFFFAOYSA-N
XLogP4.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline
CID 106885189
N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline
CID 106885213
N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 103698673
N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 62698775
N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 103818527
4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol
CID 106885444
N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 83960475
N-[(3-bromofuran-2-yl)methyl]-4-ethoxy-3-fluoroaniline
CID 113268194
N-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 67798648
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-[(3-bromofuran-2-yl)methyl]-4-methylsulfanylaniline
CID 103817834

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline (CID 106885045) is N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NCc2occc2Br)c1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is XGMSDXTUHYXWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NO/c13-10-4-5-18-11(10)7-17-9-3-1-2-8(6-9)12(14,15)16/h1-6,17H,7H2.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline?
N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 320.11 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 106885045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).