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

C13H12F3NO2 — CID 43193128

IUPACN-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline
SMILESCC(Nc1ccc(OC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C13H12F3NO2/c1-9(12-3-2-8-18-12)17-10-4-6-11(7-5-10)19-13(14,15)16/h2-9,17H,1H3
InChIKeyYDJQGHQNXHQAIZ-UHFFFAOYSA-N
MW271.24 g/mol
LogP4.35
Rot. Bonds4

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

N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline (PubChem CID 43193128) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline
PubChem CID43193128
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC NameN-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline
SMILESCC(Nc1ccc(OC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C13H12F3NO2/c1-9(12-3-2-8-18-12)17-10-4-6-11(7-5-10)19-13(14,15)16/h2-9,17H,1H3
InChIKeyYDJQGHQNXHQAIZ-UHFFFAOYSA-N
XLogP4.35
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 9482027
methyl 4-[1-(furan-2-yl)ethylamino]benzoate
CID 43139128
furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628600
N-(1-thiophen-3-ylethyl)-4-(trifluoromethoxy)aniline
CID 55032953
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 8755382
N-(3-methylpentan-2-yl)-4-(trifluoromethoxy)aniline
CID 43095630
2-methyl-3-[4-(trifluoromethoxy)anilino]butan-2-ol
CID 65333064
2-[2-(furan-2-yl)-2-hydroxyethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111058228
N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 32509192
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline
CID 83118814

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline (CID 43193128) is N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline is CC(Nc1ccc(OC(F)(F)F)cc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline?
The InChIKey is YDJQGHQNXHQAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-9(12-3-2-8-18-12)17-10-4-6-11(7-5-10)19-13(14,15)16/h2-9,17H,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline?
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline has a molecular weight of 271.24 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 43193128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).