N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline

C11H9ClFNS — CID 79420119

IUPACN-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C11H9ClFNS/c12-8-5-11(15-7-8)6-14-10-3-1-9(13)2-4-10/h1-5,7,14H,6H2
InChIKeyQVGKJYDTHGJYGX-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.15
Rot. Bonds3

About N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline

N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline (PubChem CID 79420119) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
PubChem CID79420119
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C11H9ClFNS/c12-8-5-11(15-7-8)6-14-10-3-1-9(13)2-4-10/h1-5,7,14H,6H2
InChIKeyQVGKJYDTHGJYGX-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 N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline (CID 79420119) is N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline is Fc1ccc(NCc2cc(Cl)cs2)cc1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline?
The InChIKey is QVGKJYDTHGJYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-8-5-11(15-7-8)6-14-10-3-1-9(13)2-4-10/h1-5,7,14H,6H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline?
N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline 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 N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 79420119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).