N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine

C11H15BrF3NS — CID 113327100

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
SMILESCC(NCCCCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C11H15BrF3NS/c1-8(10-9(12)4-7-17-10)16-6-3-2-5-11(13,14)15/h4,7-8,16H,2-3,5-6H2,1H3
InChIKeyUSNNALADRAVMCV-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.89
Rot. Bonds6

About N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 113327100) has the molecular formula C11H15BrF3NS and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
PubChem CID113327100
Molecular FormulaC11H15BrF3NS
Molecular Weight330.21 g/mol
Exact Mass329.01
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
SMILESCC(NCCCCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C11H15BrF3NS/c1-8(10-9(12)4-7-17-10)16-6-3-2-5-11(13,14)15/h4,7-8,16H,2-3,5-6H2,1H3
InChIKeyUSNNALADRAVMCV-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 115890816
6-[1-(3-bromothiophen-2-yl)ethylamino]hexan-3-ol
CID 115891853
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
N-[1-(3-bromothiophen-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 43763214
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023831
N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43768298
N-[1-(2-bromo-4-fluorophenyl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 103904216
3-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 115717854
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284444
N-[1-(5-bromothiophen-2-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 81343374

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine (CID 113327100) is N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine is CC(NCCCCC(F)(F)F)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is USNNALADRAVMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3NS/c1-8(10-9(12)4-7-17-10)16-6-3-2-5-11(13,14)15/h4,7-8,16H,2-3,5-6H2,1H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 330.21 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 113327100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).