2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline

C11H9ClFNS — CID 43088732

IUPAC2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1ccc(NCc2cccs2)c(Cl)c1
InChIInChI=1S/C11H9ClFNS/c12-10-6-8(13)3-4-11(10)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChIKeyDJEQZUPIYYRGGE-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.15
Rot. Bonds3

About 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline

2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 43088732) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID43088732
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC Name2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1ccc(NCc2cccs2)c(Cl)c1
InChIInChI=1S/C11H9ClFNS/c12-10-6-8(13)3-4-11(10)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChIKeyDJEQZUPIYYRGGE-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.15
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-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline (CID 43088732) is 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline is Fc1ccc(NCc2cccs2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is DJEQZUPIYYRGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-10-6-8(13)3-4-11(10)14-7-9-2-1-5-15-9/h1-6,14H,7H2.
What are the key properties of 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 241.72 g/mol, XLogP of 4.15, 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-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 43088732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).