1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

C8H8Cl2F3NS — CID 43486842

IUPAC1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H8Cl2F3NS/c1-14-5(3-8(11,12)13)4-2-6(9)15-7(4)10/h2,5,14H,3H2,1H3
InChIKeyPVLDKOKJXFOAKG-UHFFFAOYSA-N
MW278.13 g/mol
LogP4.27
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 43486842) has the molecular formula C8H8Cl2F3NS and a molecular weight of 278.13 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID43486842
Molecular FormulaC8H8Cl2F3NS
Molecular Weight278.13 g/mol
Exact Mass276.97
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H8Cl2F3NS/c1-14-5(3-8(11,12)13)4-2-6(9)15-7(4)10/h2,5,14H,3H2,1H3
InChIKeyPVLDKOKJXFOAKG-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-Dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine
CID 43167346
1-(2,5-Dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 43248572
1-(2,5-Dichlorothiophen-3-yl)-2,2,2-trifluoroethanamine
CID 43344844
1-(5-chlorothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 43432568
1-(5-chlorothiophen-2-yl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43432588
1-(5-chlorothiophen-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43432589
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43438902
1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43486739
1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 43486746
1-(2,5-dichlorothiophen-3-yl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43486794
1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491992
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
CID 43493027

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 43486842) is 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is CNC(CC(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is PVLDKOKJXFOAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2F3NS/c1-14-5(3-8(11,12)13)4-2-6(9)15-7(4)10/h2,5,14H,3H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 278.13 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 43486842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).