3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine

C9H12BrF2NS — CID 103516575

IUPAC3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine
SMILESCCNC(Cc1sccc1Br)C(F)F
InChIInChI=1S/C9H12BrF2NS/c1-2-13-7(9(11)12)5-8-6(10)3-4-14-8/h3-4,7,9,13H,2,5H2,1H3
InChIKeyIKGNOYQFCVOKCL-UHFFFAOYSA-N
MW284.17 g/mol
LogP3.30
Rot. Bonds5

About 3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine

3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine (PubChem CID 103516575) has the molecular formula C9H12BrF2NS and a molecular weight of 284.17 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine
PubChem CID103516575
Molecular FormulaC9H12BrF2NS
Molecular Weight284.17 g/mol
Exact Mass282.98
IUPAC Name3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine
SMILESCCNC(Cc1sccc1Br)C(F)F
InChIInChI=1S/C9H12BrF2NS/c1-2-13-7(9(11)12)5-8-6(10)3-4-14-8/h3-4,7,9,13H,2,5H2,1H3
InChIKeyIKGNOYQFCVOKCL-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methiopropamine
CID 436156
Methiopropamine (N-methyl-1-(thiophen-2-yl)propan-2-amine)
CID 458582
1-(3-Trifluoromethyl-thiophenyl)-2-ethylaminopropane
CID 129734993
Ethiopropamine
CID 19026398
2-thiophen-2-yl-N-(trifluoromethyl)ethanamine
CID 66739444
3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine
CID 153328287
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
(2R)-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 40619409
[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
2,2,2-trifluoro-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 28180235

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine (CID 103516575) is 3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine is CCNC(Cc1sccc1Br)C(F)F.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine?
The InChIKey is IKGNOYQFCVOKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2NS/c1-2-13-7(9(11)12)5-8-6(10)3-4-14-8/h3-4,7,9,13H,2,5H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine?
3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine has a molecular weight of 284.17 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-N-ethyl-1,1-difluoropropan-2-amine is sourced from PubChem (CID 103516575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).