N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine

C13H11ClF3NO — CID 106692004

IUPACN-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11ClF3NO/c1-2-18-12(8-5-6-19-13(8)14)7-3-4-9(15)11(17)10(7)16/h3-6,12,18H,2H2,1H3
InChIKeyKHIRHVKFVULHNC-UHFFFAOYSA-N
MW289.68 g/mol
LogP4.05
Rot. Bonds4

About N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine

N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine (PubChem CID 106692004) has the molecular formula C13H11ClF3NO and a molecular weight of 289.68 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
PubChem CID106692004
Molecular FormulaC13H11ClF3NO
Molecular Weight289.68 g/mol
Exact Mass289.05
IUPAC NameN-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11ClF3NO/c1-2-18-12(8-5-6-19-13(8)14)7-3-4-9(15)11(17)10(7)16/h3-6,12,18H,2H2,1H3
InChIKeyKHIRHVKFVULHNC-UHFFFAOYSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 54.05
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

N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62944886
N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855132
N-[(3-bromo-2-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855252
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 106691892
N-[(4-chloro-3-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107993159
N-[pyrimidin-5-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115827042
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 106689411
N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63840403
N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106692062
N-[(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855214

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine (CID 106692004) is N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine is CCNC(c1ccoc1Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The InChIKey is KHIRHVKFVULHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO/c1-2-18-12(8-5-6-19-13(8)14)7-3-4-9(15)11(17)10(7)16/h3-6,12,18H,2H2,1H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine has a molecular weight of 289.68 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 106692004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).