1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C10H14F3NOS — CID 103148095

IUPAC1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1cc(C(N)CCOCC(F)(F)F)cs1
InChIInChI=1S/C10H14F3NOS/c1-7-4-8(5-16-7)9(14)2-3-15-6-10(11,12)13/h4-5,9H,2-3,6,14H2,1H3
InChIKeyPCYPCGSQQQSQLG-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.03
Rot. Bonds5

About 1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148095) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148095
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1cc(C(N)CCOCC(F)(F)F)cs1
InChIInChI=1S/C10H14F3NOS/c1-7-4-8(5-16-7)9(14)2-3-15-6-10(11,12)13/h4-5,9H,2-3,6,14H2,1H3
InChIKeyPCYPCGSQQQSQLG-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148095) is 1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cc1cc(C(N)CCOCC(F)(F)F)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is PCYPCGSQQQSQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-7-4-8(5-16-7)9(14)2-3-15-6-10(11,12)13/h4-5,9H,2-3,6,14H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 253.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).