1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine

C10H13BrF3NS — CID 105023831

IUPAC1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C10H13BrF3NS/c1-15-8(3-2-5-10(12,13)14)9-7(11)4-6-16-9/h4,6,8,15H,2-3,5H2,1H3
InChIKeyGCLWBPOOTNEQTL-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.50
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine

1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine (PubChem CID 105023831) has the molecular formula C10H13BrF3NS and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
PubChem CID105023831
Molecular FormulaC10H13BrF3NS
Molecular Weight316.19 g/mol
Exact Mass314.99
IUPAC Name1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C10H13BrF3NS/c1-15-8(3-2-5-10(12,13)14)9-7(11)4-6-16-9/h4,6,8,15H,2-3,5H2,1H3
InChIKeyGCLWBPOOTNEQTL-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
1-(3-bromothiophen-2-yl)-N-methyloctan-1-amine
CID 80534752
1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine
CID 104987232
1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848103
3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene
CID 80536907
N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327100
1-(2-bromo-6-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 114886948
1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine
CID 79016591
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 105023949
5,5,5-trifluoro-N-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 115517514

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine (CID 105023831) is 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The InChIKey is GCLWBPOOTNEQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NS/c1-15-8(3-2-5-10(12,13)14)9-7(11)4-6-16-9/h4,6,8,15H,2-3,5H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine has a molecular weight of 316.19 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine is sourced from PubChem (CID 105023831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).