N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine

C12H18F3NO2 — CID 55073156

IUPACN-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCc1oc(COCC(F)(F)F)cc1CNC(C)C
InChIInChI=1S/C12H18F3NO2/c1-8(2)16-5-10-4-11(18-9(10)3)6-17-7-12(13,14)15/h4,8,16H,5-7H2,1-3H3
InChIKeyONTVFBCDVSXXNL-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.16
Rot. Bonds6

About N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine

N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 55073156) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID55073156
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC NameN-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCc1oc(COCC(F)(F)F)cc1CNC(C)C
InChIInChI=1S/C12H18F3NO2/c1-8(2)16-5-10-4-11(18-9(10)3)6-17-7-12(13,14)15/h4,8,16H,5-7H2,1-3H3
InChIKeyONTVFBCDVSXXNL-UHFFFAOYSA-N
XLogP3.16
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine (CID 55073156) is N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine is Cc1oc(COCC(F)(F)F)cc1CNC(C)C.
What is the InChIKey of N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is ONTVFBCDVSXXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-8(2)16-5-10-4-11(18-9(10)3)6-17-7-12(13,14)15/h4,8,16H,5-7H2,1-3H3.
What are the key properties of N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine?
N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 265.27 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).