1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine

C10H13BrF3NS — CID 62605541

IUPAC1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
SMILESCCNC(Cc1cc(Br)cs1)CC(F)(F)F
InChIInChI=1S/C10H13BrF3NS/c1-2-15-8(5-10(12,13)14)4-9-3-7(11)6-16-9/h3,6,8,15H,2,4-5H2,1H3
InChIKeyHBVQPMIGMDEWRJ-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.98
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine

1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine (PubChem CID 62605541) has the molecular formula C10H13BrF3NS and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
PubChem CID62605541
Molecular FormulaC10H13BrF3NS
Molecular Weight316.19 g/mol
Exact Mass314.99
IUPAC Name1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
SMILESCCNC(Cc1cc(Br)cs1)CC(F)(F)F
InChIInChI=1S/C10H13BrF3NS/c1-2-15-8(5-10(12,13)14)4-9-3-7(11)6-16-9/h3,6,8,15H,2,4-5H2,1H3
InChIKeyHBVQPMIGMDEWRJ-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 62691752
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
CID 62604703
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144182
1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103025148
1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724855
2-(4-bromothiophen-2-yl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65389662
1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
CID 105241832
2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80621687
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115848019
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine (CID 62605541) is 1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine is CCNC(Cc1cc(Br)cs1)CC(F)(F)F.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
The InChIKey is HBVQPMIGMDEWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NS/c1-2-15-8(5-10(12,13)14)4-9-3-7(11)6-16-9/h3,6,8,15H,2,4-5H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine has a molecular weight of 316.19 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 62605541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).