2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline

C13H11ClF3NO — CID 43714604

IUPAC2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(C(F)(F)F)cc1Cl)c1ccco1
InChIInChI=1S/C13H11ClF3NO/c1-8(12-3-2-6-19-12)18-11-5-4-9(7-10(11)14)13(15,16)17/h2-8,18H,1H3
InChIKeyGLBOCAUNIUVIER-UHFFFAOYSA-N
MW289.68 g/mol
LogP5.12
Rot. Bonds3

About 2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline

2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 43714604) has the molecular formula C13H11ClF3NO and a molecular weight of 289.68 g/mol. Its IUPAC name is 2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline
PubChem CID43714604
Molecular FormulaC13H11ClF3NO
Molecular Weight289.68 g/mol
Exact Mass289.05
IUPAC Name2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(C(F)(F)F)cc1Cl)c1ccco1
InChIInChI=1S/C13H11ClF3NO/c1-8(12-3-2-6-19-12)18-11-5-4-9(7-10(11)14)13(15,16)17/h2-8,18H,1H3
InChIKeyGLBOCAUNIUVIER-UHFFFAOYSA-N
XLogP5.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.68
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 55182379
N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 43399613
N-[(1S)-1-(furan-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 81403701
2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63668958
4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747303
5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile
CID 62494326
2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 63668275
3-[2-chloro-4-(trifluoromethyl)anilino]butanoic acid
CID 55234535
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
2-chloro-6-[1-(furan-2-yl)ethylamino]benzenecarbothioamide
CID 55079374
2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline
CID 43093717

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline (CID 43714604) is 2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline is CC(Nc1ccc(C(F)(F)F)cc1Cl)c1ccco1.
What is the InChIKey of 2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is GLBOCAUNIUVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO/c1-8(12-3-2-6-19-12)18-11-5-4-9(7-10(11)14)13(15,16)17/h2-8,18H,1H3.
What are the key properties of 2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline?
2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline has a molecular weight of 289.68 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43714604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).