N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

C11H17F3N2O — CID 55073711

IUPACN-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCNCc1coc(CN(C)CC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2O/c1-3-15-5-9-4-10(17-7-9)6-16(2)8-11(12,13)14/h4,7,15H,3,5-6,8H2,1-2H3
InChIKeyKMZUAXXXLKSVPJ-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.38
Rot. Bonds6

About N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 55073711) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID55073711
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCNCc1coc(CN(C)CC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2O/c1-3-15-5-9-4-10(17-7-9)6-16(2)8-11(12,13)14/h4,7,15H,3,5-6,8H2,1-2H3
InChIKeyKMZUAXXXLKSVPJ-UHFFFAOYSA-N
XLogP2.38
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 55073711) is N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is CCNCc1coc(CN(C)CC(F)(F)F)c1.
What is the InChIKey of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is KMZUAXXXLKSVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-15-5-9-4-10(17-7-9)6-16(2)8-11(12,13)14/h4,7,15H,3,5-6,8H2,1-2H3.
What are the key properties of N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 250.26 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 55073711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).