N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine

C13H12F3NO — CID 103302725

IUPACN-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H12F3NO/c1-2-17-13(8-3-4-18-7-8)9-5-11(15)12(16)6-10(9)14/h3-7,13,17H,2H2,1H3
InChIKeyKHAWWMGYINPMPD-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.40
Rot. Bonds4

About N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine

N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 103302725) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID103302725
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H12F3NO/c1-2-17-13(8-3-4-18-7-8)9-5-11(15)12(16)6-10(9)14/h3-7,13,17H,2H2,1H3
InChIKeyKHAWWMGYINPMPD-UHFFFAOYSA-N
XLogP3.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-3,4-difluorophenyl)-(furan-3-yl)methyl]ethanamine
CID 107539344
N-[(4-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302716
N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302641
N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855493
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855553
N-[(3-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302655
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 115855604
N-[(3-chloro-4-iodophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302706
N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302801
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[furan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360300

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine (CID 103302725) is N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine is CCNC(c1ccoc1)c1cc(F)c(F)cc1F.
What is the InChIKey of N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is KHAWWMGYINPMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-2-17-13(8-3-4-18-7-8)9-5-11(15)12(16)6-10(9)14/h3-7,13,17H,2H2,1H3.
What are the key properties of N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine?
N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 255.24 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103302725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).