1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine

C11H16F3NS — CID 43491949

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1cc(C)sc1C
InChIInChI=1S/C11H16F3NS/c1-4-15-10(6-11(12,13)14)9-5-7(2)16-8(9)3/h5,10,15H,4,6H2,1-3H3
InChIKeyBRDGHXAKNHEHNM-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.97
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine

1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine (PubChem CID 43491949) has the molecular formula C11H16F3NS and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
PubChem CID43491949
Molecular FormulaC11H16F3NS
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1cc(C)sc1C
InChIInChI=1S/C11H16F3NS/c1-4-15-10(6-11(12,13)14)9-5-7(2)16-8(9)3/h5,10,15H,4,6H2,1-3H3
InChIKeyBRDGHXAKNHEHNM-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine (CID 43491949) is 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine is CCNC(CC(F)(F)F)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is BRDGHXAKNHEHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NS/c1-4-15-10(6-11(12,13)14)9-5-7(2)16-8(9)3/h5,10,15H,4,6H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 251.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43491949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).