N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine

C7H7BrF3NS — CID 24702964

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ccc(Br)s1
InChIInChI=1S/C7H7BrF3NS/c8-6-2-1-5(13-6)3-12-4-7(9,10)11/h1-2,12H,3-4H2
InChIKeyPQDMDMDEVKQKKR-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.16
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine

N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 24702964) has the molecular formula C7H7BrF3NS and a molecular weight of 274.10 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID24702964
Molecular FormulaC7H7BrF3NS
Molecular Weight274.10 g/mol
Exact Mass272.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ccc(Br)s1
InChIInChI=1S/C7H7BrF3NS/c8-6-2-1-5(13-6)3-12-4-7(9,10)11/h1-2,12H,3-4H2
InChIKeyPQDMDMDEVKQKKR-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine (CID 24702964) is N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is PQDMDMDEVKQKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3NS/c8-6-2-1-5(13-6)3-12-4-7(9,10)11/h1-2,12H,3-4H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 274.10 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 24702964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).