1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine

C7H6Cl2F3NS — CID 43167346

IUPAC1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H6Cl2F3NS/c8-5-1-3(6(9)14-5)4(13)2-7(10,11)12/h1,4H,2,13H2
InChIKeyWGZPHYKMNISIFO-UHFFFAOYSA-N
MW264.10 g/mol
LogP4.01
Rot. Bonds2

About 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine

1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 43167346) has the molecular formula C7H6Cl2F3NS and a molecular weight of 264.10 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID43167346
Molecular FormulaC7H6Cl2F3NS
Molecular Weight264.10 g/mol
Exact Mass262.96
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H6Cl2F3NS/c8-5-1-3(6(9)14-5)4(13)2-7(10,11)12/h1,4H,2,13H2
InChIKeyWGZPHYKMNISIFO-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.10
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-Dichlorothiophen-3-yl)-2,2-difluoroethan-1-amine
CID 105558953
3-(2,5-Dichlorothiophen-3-yl)propan-1-amine hydrochloride
CID 165941160
(1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine
CID 28973347
(1R)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine
CID 28973348
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-(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)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 43486842
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
CID 43493027
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43493034
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43493129

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine (CID 43167346) is 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is WGZPHYKMNISIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F3NS/c8-5-1-3(6(9)14-5)4(13)2-7(10,11)12/h1,4H,2,13H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine?
1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 264.10 g/mol, XLogP of 4.01, 2 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-trifluoropropan-1-amine is sourced from PubChem (CID 43167346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).