1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine

C11H11Br2F6NS — CID 103309620

IUPAC1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11Br2F6NS/c1-2-3-20-7(5-4-6(12)21-9(5)13)8(10(14,15)16)11(17,18)19/h4,7-8,20H,2-3H2,1H3
InChIKeyRBANNUFJHYKQGG-UHFFFAOYSA-N
MW463.08 g/mol
LogP6.05
Rot. Bonds5

About 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine

1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309620) has the molecular formula C11H11Br2F6NS and a molecular weight of 463.08 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103309620
Molecular FormulaC11H11Br2F6NS
Molecular Weight463.08 g/mol
Exact Mass460.89
IUPAC Name1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11Br2F6NS/c1-2-3-20-7(5-4-6(12)21-9(5)13)8(10(14,15)16)11(17,18)19/h4,7-8,20H,2-3H2,1H3
InChIKeyRBANNUFJHYKQGG-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.08
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine with MolForge

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
CID 43497851
1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 43497928
N-[(2,5-dibromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63504406
3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103311710
N-[1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 107969351
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
CID 43497829
N-[1-(2,5-dibromothiophen-3-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 43497902
N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107961210
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(4-bromo-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]propan-1-amine
CID 63502701
3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine
CID 103309616
N-[1-(2,5-dibromothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497935

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine (CID 103309620) is 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine is CCCNC(c1cc(Br)sc1Br)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is RBANNUFJHYKQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2F6NS/c1-2-3-20-7(5-4-6(12)21-9(5)13)8(10(14,15)16)11(17,18)19/h4,7-8,20H,2-3H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 463.08 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).