4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline

C11H8ClF2NOS — CID 55217609

IUPAC4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline
SMILESNc1cc(F)c(OCc2ccc(Cl)s2)cc1F
InChIInChI=1S/C11H8ClF2NOS/c12-11-2-1-6(17-11)5-16-10-4-7(13)9(15)3-8(10)14/h1-4H,5,15H2
InChIKeyKTZGYCAYPCNOBS-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.84
Rot. Bonds3

About 4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline

4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline (PubChem CID 55217609) has the molecular formula C11H8ClF2NOS and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline
PubChem CID55217609
Molecular FormulaC11H8ClF2NOS
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline
SMILESNc1cc(F)c(OCc2ccc(Cl)s2)cc1F
InChIInChI=1S/C11H8ClF2NOS/c12-11-2-1-6(17-11)5-16-10-4-7(13)9(15)3-8(10)14/h1-4H,5,15H2
InChIKeyKTZGYCAYPCNOBS-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline (CID 55217609) is 4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline is Nc1cc(F)c(OCc2ccc(Cl)s2)cc1F.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline?
The InChIKey is KTZGYCAYPCNOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NOS/c12-11-2-1-6(17-11)5-16-10-4-7(13)9(15)3-8(10)14/h1-4H,5,15H2.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline?
4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline has a molecular weight of 275.71 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline is sourced from PubChem (CID 55217609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).