2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline

C12H10F3NO — CID 43192518

IUPAC2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)c(F)c1F)c1ccco1
InChIInChI=1S/C12H10F3NO/c1-7(10-3-2-6-17-10)16-9-5-4-8(13)11(14)12(9)15/h2-7,16H,1H3
InChIKeyBOTAUNMTTOBLLJ-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.87
Rot. Bonds3

About 2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline

2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline (PubChem CID 43192518) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
PubChem CID43192518
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)c(F)c1F)c1ccco1
InChIInChI=1S/C12H10F3NO/c1-7(10-3-2-6-17-10)16-9-5-4-8(13)11(14)12(9)15/h2-7,16H,1H3
InChIKeyBOTAUNMTTOBLLJ-UHFFFAOYSA-N
XLogP3.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 79838073
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8918343
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43192515
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817589
4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine
CID 66101255
5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile
CID 62494326
4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 65467932
2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43192512
2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43714604
1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726592
2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60943526

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline?
The IUPAC name of 2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline (CID 43192518) is 2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline?
The canonical SMILES for 2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline is CC(Nc1ccc(F)c(F)c1F)c1ccco1.
What is the InChIKey of 2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline?
The InChIKey is BOTAUNMTTOBLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-7(10-3-2-6-17-10)16-9-5-4-8(13)11(14)12(9)15/h2-7,16H,1H3.
What are the key properties of 2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline?
2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline has a molecular weight of 241.21 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline is sourced from PubChem (CID 43192518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).