5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline

C12H11ClFNS — CID 43438364

IUPAC5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C12H11ClFNS/c1-8(12-3-2-6-16-12)15-11-7-9(13)4-5-10(11)14/h2-8,15H,1H3
InChIKeyZESTUGAVPUUCBO-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.71
Rot. Bonds3

About 5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline

5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43438364) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43438364
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C12H11ClFNS/c1-8(12-3-2-6-16-12)15-11-7-9(13)4-5-10(11)14/h2-8,15H,1H3
InChIKeyZESTUGAVPUUCBO-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1-thiophen-2-ylethyl)aniline
CID 43691085
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43775963
4-bromo-5-fluoro-2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 116735510
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile
CID 43399529
1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181621
5-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43775999
5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine
CID 103552680
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline (CID 43438364) is 5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline is CC(Nc1cc(Cl)ccc1F)c1cccs1.
What is the InChIKey of 5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is ZESTUGAVPUUCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-8(12-3-2-6-16-12)15-11-7-9(13)4-5-10(11)14/h2-8,15H,1H3.
What are the key properties of 5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline?
5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 255.75 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43438364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).