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

C9H11ClF3NS — CID 115841552

IUPAC3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C9H11ClF3NS/c1-2-14-7(9(11,12)13)5-6-3-4-8(10)15-6/h3-4,7,14H,2,5H2,1H3
InChIKeyYEAWCQABFVGANU-UHFFFAOYSA-N
MW257.71 g/mol
LogP3.48
Rot. Bonds4

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

3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine (PubChem CID 115841552) has the molecular formula C9H11ClF3NS and a molecular weight of 257.71 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
PubChem CID115841552
Molecular FormulaC9H11ClF3NS
Molecular Weight257.71 g/mol
Exact Mass257.03
IUPAC Name3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C9H11ClF3NS/c1-2-14-7(9(11,12)13)5-6-3-4-8(10)15-6/h3-4,7,14H,2,5H2,1H3
InChIKeyYEAWCQABFVGANU-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
CID 79616113
[1-(5-chlorothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275195
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053736
1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 65128398
[3-(5-ethylthiophen-2-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215725
[1-(5-chlorothiophen-2-yl)-3-ethyl-3-phenylpentan-2-yl]hydrazine
CID 105217759
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004297

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine (CID 115841552) is 3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine is CCNC(Cc1ccc(Cl)s1)C(F)(F)F.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The InChIKey is YEAWCQABFVGANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NS/c1-2-14-7(9(11,12)13)5-6-3-4-8(10)15-6/h3-4,7,14H,2,5H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine has a molecular weight of 257.71 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 115841552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).