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

C12H17BrF3NS — CID 105023982

IUPAC1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C12H17BrF3NS/c1-2-7-17-10(4-3-6-12(14,15)16)11-9(13)5-8-18-11/h5,8,10,17H,2-4,6-7H2,1H3
InChIKeyBUMPHAYEFCYGQT-UHFFFAOYSA-N
MW344.24 g/mol
LogP5.28
Rot. Bonds7

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

1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 105023982) has the molecular formula C12H17BrF3NS and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID105023982
Molecular FormulaC12H17BrF3NS
Molecular Weight344.24 g/mol
Exact Mass343.02
IUPAC Name1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C12H17BrF3NS/c1-2-7-17-10(4-3-6-12(14,15)16)11-9(13)5-8-18-11/h5,8,10,17H,2-4,6-7H2,1H3
InChIKeyBUMPHAYEFCYGQT-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 105023949
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023831
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327100
1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024009
1-(4,5-dibromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023820
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024259
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028723
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993148
1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 80535785

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 105023982) is 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is BUMPHAYEFCYGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrF3NS/c1-2-7-17-10(4-3-6-12(14,15)16)11-9(13)5-8-18-11/h5,8,10,17H,2-4,6-7H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 344.24 g/mol, XLogP of 5.28, 7 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-propylpentan-1-amine is sourced from PubChem (CID 105023982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).