1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C11H16F3NOS — CID 55151711

IUPAC1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCC(NCCOCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3NOS/c1-2-9(10-4-3-7-17-10)15-5-6-16-8-11(12,13)14/h3-4,7,9,15H,2,5-6,8H2,1H3
InChIKeyBIFKAPSGKYRDTP-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.37
Rot. Bonds7

About 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 55151711) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID55151711
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCC(NCCOCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3NOS/c1-2-9(10-4-3-7-17-10)15-5-6-16-8-11(12,13)14/h3-4,7,9,15H,2,5-6,8H2,1H3
InChIKeyBIFKAPSGKYRDTP-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.37
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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Related Compounds

2-Morpholin-4-yl-2-thiophen-2-yl-ethylamine
CID 3815310
(3-Isopropoxy-propyl)-thiophen-2-ylmethyl-amine
CID 3155084
[3-(Morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine hydrochloride
CID 9551938
(2-Morpholin-4-ylethyl)(2-thienylmethyl)amine
CID 1817903
2-(5-Methylthiophen-2-yl)-2-(morpholin-4-yl)ethan-1-amine
CID 43146823
(2-Methoxyethyl)[(thiophen-2-yl)methyl]amine
CID 4719999
N-(3-Methoxypropyl)-N-(thien-2-ylmethyl)amine
CID 17206465
2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 5177104
(3-Morpholin-4-yl-propyl)-thiophen-2-ylmethyl-amine
CID 2117475
3-{[1-(5-Methylthiophen-2-yl)ethyl]amino}propan-1-ol
CID 43206579
N-[(5-methylthiophen-2-yl)methyl]-2-(morpholin-4-yl)ethanamine
CID 2997075
N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887448

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 55151711) is 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCC(NCCOCC(F)(F)F)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is BIFKAPSGKYRDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-2-9(10-4-3-7-17-10)15-5-6-16-8-11(12,13)14/h3-4,7,9,15H,2,5-6,8H2,1H3.
What are the key properties of 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 55151711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).