1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

C11H16F3NOS — CID 66274986

IUPAC1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCCC(N)C(OC(C)C(F)(F)F)c1ccsc1
InChIInChI=1S/C11H16F3NOS/c1-3-9(15)10(8-4-5-17-6-8)16-7(2)11(12,13)14/h4-7,9-10H,3,15H2,1-2H3
InChIKeyUJMMZNZGFMXTNY-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.49
Rot. Bonds5

About 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (PubChem CID 66274986) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
PubChem CID66274986
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCCC(N)C(OC(C)C(F)(F)F)c1ccsc1
InChIInChI=1S/C11H16F3NOS/c1-3-9(15)10(8-4-5-17-6-8)16-7(2)11(12,13)14/h4-7,9-10H,3,15H2,1-2H3
InChIKeyUJMMZNZGFMXTNY-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The IUPAC name of 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (CID 66274986) is 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.
What is the SMILES notation for 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The canonical SMILES for 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is CCC(N)C(OC(C)C(F)(F)F)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The InChIKey is UJMMZNZGFMXTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-3-9(15)10(8-4-5-17-6-8)16-7(2)11(12,13)14/h4-7,9-10H,3,15H2,1-2H3.
What are the key properties of 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine has a molecular weight of 267.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is sourced from PubChem (CID 66274986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).