3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine

C11H12F3NOS — CID 66277641

IUPAC3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine
SMILESCC(OCc1sccc1C#CCN)C(F)(F)F
InChIInChI=1S/C11H12F3NOS/c1-8(11(12,13)14)16-7-10-9(3-2-5-15)4-6-17-10/h4,6,8H,5,7,15H2,1H3
InChIKeyAIAWJFDLXSRQST-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.53
Rot. Bonds3

About 3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine

3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine (PubChem CID 66277641) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine
PubChem CID66277641
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine
SMILESCC(OCc1sccc1C#CCN)C(F)(F)F
InChIInChI=1S/C11H12F3NOS/c1-8(11(12,13)14)16-7-10-9(3-2-5-15)4-6-17-10/h4,6,8H,5,7,15H2,1H3
InChIKeyAIAWJFDLXSRQST-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 66275053
3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 102722672
4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]but-3-yn-1-ol
CID 102722667
3-[2-[(3-chloro-4-fluorophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 63879184
3-[2-[(4-methylsulfanylphenoxy)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 55246355
3-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl-methylamino]butanenitrile
CID 63223288
3-[2-[(3-chloro-2-fluorophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 116689851
3-[2-[(3,4-dimethylcyclohexyl)oxymethyl]thiophen-3-yl]prop-2-yn-1-amine
CID 64745794
3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 66322666
3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine
CID 130604994
3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 63557089
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209984

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine (CID 66277641) is 3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine is CC(OCc1sccc1C#CCN)C(F)(F)F.
What is the InChIKey of 3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The InChIKey is AIAWJFDLXSRQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c1-8(11(12,13)14)16-7-10-9(3-2-5-15)4-6-17-10/h4,6,8H,5,7,15H2,1H3.
What are the key properties of 3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine has a molecular weight of 263.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine is sourced from PubChem (CID 66277641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).