5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine

C10H14F3NO — CID 83183156

IUPAC5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ccoc1
InChIInChI=1S/C10H14F3NO/c1-14-9(2-4-10(11,12)13)6-8-3-5-15-7-8/h3,5,7,9,14H,2,4,6H2,1H3
InChIKeyGDFHKCCNWCCFTI-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.75
Rot. Bonds5

About 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine

5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine (PubChem CID 83183156) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine
PubChem CID83183156
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ccoc1
InChIInChI=1S/C10H14F3NO/c1-14-9(2-4-10(11,12)13)6-8-3-5-15-7-8/h3,5,7,9,14H,2,4,6H2,1H3
InChIKeyGDFHKCCNWCCFTI-UHFFFAOYSA-N
XLogP2.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine (CID 83183156) is 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine is CNC(CCC(F)(F)F)Cc1ccoc1.
What is the InChIKey of 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine?
The InChIKey is GDFHKCCNWCCFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-14-9(2-4-10(11,12)13)6-8-3-5-15-7-8/h3,5,7,9,14H,2,4,6H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine?
5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine has a molecular weight of 221.22 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(furan-3-yl)-N-methylpentan-2-amine is sourced from PubChem (CID 83183156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).