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

C11H16F3NOS — CID 103207809

IUPAC1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1cc(C)c(C(N)CCOCC(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-7-5-8(2)17-10(7)9(15)3-4-16-6-11(12,13)14/h5,9H,3-4,6,15H2,1-2H3
InChIKeyGSYBLDNBFKUJKR-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.33
Rot. Bonds5

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

1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103207809) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103207809
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1cc(C)c(C(N)CCOCC(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-7-5-8(2)17-10(7)9(15)3-4-16-6-11(12,13)14/h5,9H,3-4,6,15H2,1-2H3
InChIKeyGSYBLDNBFKUJKR-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103207809) is 1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cc1cc(C)c(C(N)CCOCC(F)(F)F)s1.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is GSYBLDNBFKUJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-7-5-8(2)17-10(7)9(15)3-4-16-6-11(12,13)14/h5,9H,3-4,6,15H2,1-2H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103207809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).