N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine

C9H12F3NS — CID 65238850

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1cc(CNCC(F)(F)F)sc1C
InChIInChI=1S/C9H12F3NS/c1-6-3-8(14-7(6)2)4-13-5-9(10,11)12/h3,13H,4-5H2,1-2H3
InChIKeyQVDBAMWYOJIRSW-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.02
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 65238850) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID65238850
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1cc(CNCC(F)(F)F)sc1C
InChIInChI=1S/C9H12F3NS/c1-6-3-8(14-7(6)2)4-13-5-9(10,11)12/h3,13H,4-5H2,1-2H3
InChIKeyQVDBAMWYOJIRSW-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65241400
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine
CID 81105748
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 80550247
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 65243483
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 65246641
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 65246409
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 65246100
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289474
N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65246330
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine (CID 65238850) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine is Cc1cc(CNCC(F)(F)F)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is QVDBAMWYOJIRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-6-3-8(14-7(6)2)4-13-5-9(10,11)12/h3,13H,4-5H2,1-2H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 223.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 65238850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).