2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline

C12H11ClFNS — CID 43150507

IUPAC2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1ccc(F)cc1Cl)c1cccs1
InChIInChI=1S/C12H11ClFNS/c1-8(12-3-2-6-16-12)15-11-5-4-9(14)7-10(11)13/h2-8,15H,1H3
InChIKeyXNEKOJIMNOFWRW-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.71
Rot. Bonds3

About 2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline

2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43150507) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43150507
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1ccc(F)cc1Cl)c1cccs1
InChIInChI=1S/C12H11ClFNS/c1-8(12-3-2-6-16-12)15-11-5-4-9(14)7-10(11)13/h2-8,15H,1H3
InChIKeyXNEKOJIMNOFWRW-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline (CID 43150507) is 2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline is CC(Nc1ccc(F)cc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is XNEKOJIMNOFWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-8(12-3-2-6-16-12)15-11-5-4-9(14)7-10(11)13/h2-8,15H,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline?
2-chloro-4-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 2-chloro-4-fluoro-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43150507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).