4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine

C10H14F3NO — CID 115894673

IUPAC4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine
SMILESCC(CC(F)(F)F)NC(C)c1ccoc1
InChIInChI=1S/C10H14F3NO/c1-7(5-10(11,12)13)14-8(2)9-3-4-15-6-9/h3-4,6-8,14H,5H2,1-2H3
InChIKeyXOHGYVQXEPTUML-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.27
Rot. Bonds4

About 4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine

4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine (PubChem CID 115894673) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine
PubChem CID115894673
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine
SMILESCC(CC(F)(F)F)NC(C)c1ccoc1
InChIInChI=1S/C10H14F3NO/c1-7(5-10(11,12)13)14-8(2)9-3-4-15-6-9/h3-4,6-8,14H,5H2,1-2H3
InChIKeyXOHGYVQXEPTUML-UHFFFAOYSA-N
XLogP3.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine (CID 115894673) is 4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine is CC(CC(F)(F)F)NC(C)c1ccoc1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine?
The InChIKey is XOHGYVQXEPTUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7(5-10(11,12)13)14-8(2)9-3-4-15-6-9/h3-4,6-8,14H,5H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine?
4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine has a molecular weight of 221.22 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115894673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).