4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline

C11H9ClFNOS — CID 43259300

IUPAC4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2ccc(Cl)s2)c(F)c1
InChIInChI=1S/C11H9ClFNOS/c12-11-4-2-8(16-11)6-15-10-3-1-7(14)5-9(10)13/h1-5H,6,14H2
InChIKeyKKQUWVIPVBRTEI-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.70
Rot. Bonds3

About 4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline

4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline (PubChem CID 43259300) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline
PubChem CID43259300
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2ccc(Cl)s2)c(F)c1
InChIInChI=1S/C11H9ClFNOS/c12-11-4-2-8(16-11)6-15-10-3-1-7(14)5-9(10)13/h1-5H,6,14H2
InChIKeyKKQUWVIPVBRTEI-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.70
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]-3-fluoroaniline?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline (CID 43259300) is 4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline is Nc1ccc(OCc2ccc(Cl)s2)c(F)c1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline?
The InChIKey is KKQUWVIPVBRTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c12-11-4-2-8(16-11)6-15-10-3-1-7(14)5-9(10)13/h1-5H,6,14H2.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline?
4-[(5-chlorothiophen-2-yl)methoxy]-3-fluoroaniline has a molecular weight of 257.72 g/mol, XLogP of 3.70, 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]-3-fluoroaniline is sourced from PubChem (CID 43259300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).