2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

C8H9ClF3NO — CID 83918173

IUPAC2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNCC(c1ccc(Cl)o1)C(F)(F)F
InChIInChI=1S/C8H9ClF3NO/c1-13-4-5(8(10,11)12)6-2-3-7(9)14-6/h2-3,5,13H,4H2,1H3
InChIKeyYRNZAYKDMWCTJO-UHFFFAOYSA-N
MW227.61 g/mol
LogP2.80
Rot. Bonds3

About 2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 83918173) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID83918173
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC Name2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNCC(c1ccc(Cl)o1)C(F)(F)F
InChIInChI=1S/C8H9ClF3NO/c1-13-4-5(8(10,11)12)6-2-3-7(9)14-6/h2-3,5,13H,4H2,1H3
InChIKeyYRNZAYKDMWCTJO-UHFFFAOYSA-N
XLogP2.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 83918173) is 2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is CNCC(c1ccc(Cl)o1)C(F)(F)F.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is YRNZAYKDMWCTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NO/c1-13-4-5(8(10,11)12)6-2-3-7(9)14-6/h2-3,5,13H,4H2,1H3.
What are the key properties of 2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 227.61 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 83918173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).