4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline

C11H9ClFNS — CID 43716491

IUPAC4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline
SMILESFc1cc(Cl)ccc1NCc1ccsc1
InChIInChI=1S/C11H9ClFNS/c12-9-1-2-11(10(13)5-9)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2
InChIKeyMKKJVCOMFFBPJH-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.15
Rot. Bonds3

About 4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline

4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline (PubChem CID 43716491) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline
PubChem CID43716491
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC Name4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline
SMILESFc1cc(Cl)ccc1NCc1ccsc1
InChIInChI=1S/C11H9ClFNS/c12-9-1-2-11(10(13)5-9)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2
InChIKeyMKKJVCOMFFBPJH-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 4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline (CID 43716491) is 4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline is Fc1cc(Cl)ccc1NCc1ccsc1.
What is the InChIKey of 4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is MKKJVCOMFFBPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-9-1-2-11(10(13)5-9)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2.
What are the key properties of 4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline?
4-chloro-2-fluoro-N-(thiophen-3-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 4-chloro-2-fluoro-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 43716491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).