1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine

C11H16F3NOS — CID 66274543

IUPAC1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine
SMILESCc1ccsc1C(OC(C)C(F)(F)F)C(C)N
InChIInChI=1S/C11H16F3NOS/c1-6-4-5-17-10(6)9(7(2)15)16-8(3)11(12,13)14/h4-5,7-9H,15H2,1-3H3
InChIKeyAIRJOUKGYLGNPJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.41
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine

1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine (PubChem CID 66274543) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine
PubChem CID66274543
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine
SMILESCc1ccsc1C(OC(C)C(F)(F)F)C(C)N
InChIInChI=1S/C11H16F3NOS/c1-6-4-5-17-10(6)9(7(2)15)16-8(3)11(12,13)14/h4-5,7-9H,15H2,1-3H3
InChIKeyAIRJOUKGYLGNPJ-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine (CID 66274543) is 1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine is Cc1ccsc1C(OC(C)C(F)(F)F)C(C)N.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine?
The InChIKey is AIRJOUKGYLGNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-6-4-5-17-10(6)9(7(2)15)16-8(3)11(12,13)14/h4-5,7-9H,15H2,1-3H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine?
1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine has a molecular weight of 267.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine is sourced from PubChem (CID 66274543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).