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

C10H14F3NOS — CID 66276938

IUPAC1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine
SMILESCC(N)C(OC(C)C(F)(F)F)c1ccsc1
InChIInChI=1S/C10H14F3NOS/c1-6(14)9(8-3-4-16-5-8)15-7(2)10(11,12)13/h3-7,9H,14H2,1-2H3
InChIKeyOUDCNFVQIULSCN-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.10
Rot. Bonds4

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

1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine (PubChem CID 66276938) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine
PubChem CID66276938
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine
SMILESCC(N)C(OC(C)C(F)(F)F)c1ccsc1
InChIInChI=1S/C10H14F3NOS/c1-6(14)9(8-3-4-16-5-8)15-7(2)10(11,12)13/h3-7,9H,14H2,1-2H3
InChIKeyOUDCNFVQIULSCN-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.10
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)propan-2-amine?
The IUPAC name of 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine (CID 66276938) is 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine.
What is the SMILES notation for 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine?
The canonical SMILES for 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine is CC(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)propan-2-amine?
The InChIKey is OUDCNFVQIULSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-6(14)9(8-3-4-16-5-8)15-7(2)10(11,12)13/h3-7,9H,14H2,1-2H3.
What are the key properties of 1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine?
1-thiophen-3-yl-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine has a molecular weight of 253.29 g/mol, XLogP of 3.10, 4 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)propan-2-amine is sourced from PubChem (CID 66276938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).