N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine

C10H15F3N2O — CID 62428592

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1occc1CN)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-2-15(7-10(11,12)13)6-9-8(5-14)3-4-16-9/h3-4H,2,5-7,14H2,1H3
InChIKeyWSEYYWFGNYTPQB-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.12
Rot. Bonds5

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 62428592) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID62428592
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1occc1CN)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-2-15(7-10(11,12)13)6-9-8(5-14)3-4-16-9/h3-4H,2,5-7,14H2,1H3
InChIKeyWSEYYWFGNYTPQB-UHFFFAOYSA-N
XLogP2.12
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 62428592) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(Cc1occc1CN)CC(F)(F)F.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is WSEYYWFGNYTPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-15(7-10(11,12)13)6-9-8(5-14)3-4-16-9/h3-4H,2,5-7,14H2,1H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 236.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62428592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).