N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline

C17H13F2NS — CID 106528366

IUPACN-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline
SMILESFc1cc(F)cc(CNc2ccccc2-c2cccs2)c1
InChIInChI=1S/C17H13F2NS/c18-13-8-12(9-14(19)10-13)11-20-16-5-2-1-4-15(16)17-6-3-7-21-17/h1-10,20H,11H2
InChIKeyHVKIQAGRWAKYOW-UHFFFAOYSA-N
MW301.36 g/mol
LogP5.31
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline

N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline (PubChem CID 106528366) has the molecular formula C17H13F2NS and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline
PubChem CID106528366
Molecular FormulaC17H13F2NS
Molecular Weight301.36 g/mol
Exact Mass301.07
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline
SMILESFc1cc(F)cc(CNc2ccccc2-c2cccs2)c1
InChIInChI=1S/C17H13F2NS/c18-13-8-12(9-14(19)10-13)11-20-16-5-2-1-4-15(16)17-6-3-7-21-17/h1-10,20H,11H2
InChIKeyHVKIQAGRWAKYOW-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.36
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline (CID 106528366) is N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline is Fc1cc(F)cc(CNc2ccccc2-c2cccs2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline?
The InChIKey is HVKIQAGRWAKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NS/c18-13-8-12(9-14(19)10-13)11-20-16-5-2-1-4-15(16)17-6-3-7-21-17/h1-10,20H,11H2.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline?
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline has a molecular weight of 301.36 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylaniline is sourced from PubChem (CID 106528366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).