N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline

C11H8ClF2NS — CID 28879079

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline
SMILESFc1cccc(F)c1NCc1ccc(Cl)s1
InChIInChI=1S/C11H8ClF2NS/c12-10-5-4-7(16-10)6-15-11-8(13)2-1-3-9(11)14/h1-5,15H,6H2
InChIKeyFCYUIEVDLLHGOZ-UHFFFAOYSA-N
MW259.71 g/mol
LogP4.29
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline

N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline (PubChem CID 28879079) has the molecular formula C11H8ClF2NS and a molecular weight of 259.71 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline
PubChem CID28879079
Molecular FormulaC11H8ClF2NS
Molecular Weight259.71 g/mol
Exact Mass259.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline
SMILESFc1cccc(F)c1NCc1ccc(Cl)s1
InChIInChI=1S/C11H8ClF2NS/c12-10-5-4-7(16-10)6-15-11-8(13)2-1-3-9(11)14/h1-5,15H,6H2
InChIKeyFCYUIEVDLLHGOZ-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline (CID 28879079) is N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline is Fc1cccc(F)c1NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline?
The InChIKey is FCYUIEVDLLHGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NS/c12-10-5-4-7(16-10)6-15-11-8(13)2-1-3-9(11)14/h1-5,15H,6H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline?
N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline has a molecular weight of 259.71 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 28879079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).