2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine

C12H10F3NO — CID 105030125

IUPAC2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1ccoc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H10F3NO/c13-8-4-9(14)12(10(15)5-8)11(16)3-7-1-2-17-6-7/h1-2,4-6,11H,3,16H2
InChIKeyGOXCBXQBEFUNDU-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.94
Rot. Bonds3

About 2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine

2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 105030125) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID105030125
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1ccoc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H10F3NO/c13-8-4-9(14)12(10(15)5-8)11(16)3-7-1-2-17-6-7/h1-2,4-6,11H,3,16H2
InChIKeyGOXCBXQBEFUNDU-UHFFFAOYSA-N
XLogP2.94
TPSA39.16 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine
CID 105030226
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 105030036
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
CID 83183260
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
1-(2-fluoro-4-methoxyphenyl)-2-(furan-3-yl)ethanamine
CID 83182670
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 79709295
2-(3-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 61078347
2-(furan-3-yl)-1-(2-iodophenyl)ethanamine
CID 105030079

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine (CID 105030125) is 2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine is NC(Cc1ccoc1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is GOXCBXQBEFUNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-8-4-9(14)12(10(15)5-8)11(16)3-7-1-2-17-6-7/h1-2,4-6,11H,3,16H2.
What are the key properties of 2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine?
2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 241.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 105030125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).