N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine

C9H11BrF3NS — CID 103901450

IUPACN-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCc1sccc1Br
InChIInChI=1S/C9H11BrF3NS/c1-6(4-9(11,12)13)14-5-8-7(10)2-3-15-8/h2-3,6,14H,4-5H2,1H3
InChIKeyHUXOESLMDBLKCO-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.94
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine

N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine (PubChem CID 103901450) has the molecular formula C9H11BrF3NS and a molecular weight of 302.16 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
PubChem CID103901450
Molecular FormulaC9H11BrF3NS
Molecular Weight302.16 g/mol
Exact Mass300.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCc1sccc1Br
InChIInChI=1S/C9H11BrF3NS/c1-6(4-9(11,12)13)14-5-8-7(10)2-3-15-8/h2-3,6,14H,4-5H2,1H3
InChIKeyHUXOESLMDBLKCO-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Propan-2-yl)(thiophen-2-ylmethyl)amine
CID 17052885
1-(4-Bromothiophen-2-yl)-N-methylmethanamine
CID 42282034
2-(4-Bromothiophen-2-yl)pyrrolidine hydrochloride
CID 17389804
2-(4-Bromothiophen-2-yl)pyrrolidine
CID 17389805
2-fluoro-N-(thiophen-2-ylmethyl)ethanamine
CID 57126616
N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine
CID 169245653
N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine
CID 172563115
1-(4-bromo-3-fluorothiophen-2-yl)-N-propylbut-3-en-1-amine
CID 172563139
N-(thiophen-2-ylmethyl)butan-1-amine
CID 1605600
3-fluoro-N-(thiophen-2-ylmethyl)propan-1-amine
CID 17863095
[1-(Thiophen-2-YL)ethyl](2,2,2-trifluoroethyl)amine
CID 24694063
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine (CID 103901450) is N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine is CC(CC(F)(F)F)NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is HUXOESLMDBLKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NS/c1-6(4-9(11,12)13)14-5-8-7(10)2-3-15-8/h2-3,6,14H,4-5H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 302.16 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 103901450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).