N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

C7H7BrF3NS — CID 43432019

IUPACN-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1csc(Br)c1
InChIInChI=1S/C7H7BrF3NS/c8-6-1-5(3-13-6)2-12-4-7(9,10)11/h1,3,12H,2,4H2
InChIKeyAUHYNMGXSRTJBM-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.16
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 43432019) has the molecular formula C7H7BrF3NS and a molecular weight of 274.10 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID43432019
Molecular FormulaC7H7BrF3NS
Molecular Weight274.10 g/mol
Exact Mass272.94
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1csc(Br)c1
InChIInChI=1S/C7H7BrF3NS/c8-6-1-5(3-13-6)2-12-4-7(9,10)11/h1,3,12H,2,4H2
InChIKeyAUHYNMGXSRTJBM-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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Related Compounds

(2-Bromothiophen-3-yl)methanamine
CID 2735586
((2-Bromothiophen-3-yl)methyl)(methyl)amine
CID 24229571
(2-bromothiophen-3-yl)methanamine Hydrochloride
CID 2800730
(5-Bromothiophen-3-yl)methanamine hydrochloride
CID 47002381
(3-Thienylmethyl)(2,2,2-trifluoroethyl)amine
CID 24694116
(5-Bromothiophen-3-YL)methanamine
CID 23533436
N-(2,2,2-trifluoroethyl)thiophene-3-carbothioamide
CID 85906662
(2-Bromo-5-fluorothiophen-3-yl)methanamine
CID 167071904
N-[(5-bromothiophen-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 54927243
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087420
2-N-[(5-bromothiophen-3-yl)methyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 61567215
2-N-[(5-bromothiophen-3-yl)methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine
CID 61648200

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 43432019) is N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is AUHYNMGXSRTJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3NS/c8-6-1-5(3-13-6)2-12-4-7(9,10)11/h1,3,12H,2,4H2.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(5-bromothiophen-3-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-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43432019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).