2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile

C13H10F2N2S — CID 107933368

IUPAC2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
SMILESCN(Cc1cccs1)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C13H10F2N2S/c1-17(8-10-3-2-6-18-10)11-5-4-9(7-16)12(14)13(11)15/h2-6H,8H2,1H3
InChIKeyBWYFJDZEHLSKQI-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.53
Rot. Bonds3

About 2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile

2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile (PubChem CID 107933368) has the molecular formula C13H10F2N2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
PubChem CID107933368
Molecular FormulaC13H10F2N2S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
SMILESCN(Cc1cccs1)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C13H10F2N2S/c1-17(8-10-3-2-6-18-10)11-5-4-9(7-16)12(14)13(11)15/h2-6H,8H2,1H3
InChIKeyBWYFJDZEHLSKQI-UHFFFAOYSA-N
XLogP3.53
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromophenyl)methyl-methylamino]-2,3-difluorobenzonitrile
CID 107933447
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 43009194
4-(chloromethyl)-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527733
2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 114880619
4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile
CID 107933424
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
3-fluoro-5-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 102815367
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379420
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile
CID 81281827
3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 43658312
2-bromo-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 107276512
2-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79033362

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile?
The IUPAC name of 2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile (CID 107933368) is 2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile?
The canonical SMILES for 2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile is CN(Cc1cccs1)c1ccc(C#N)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile?
The InChIKey is BWYFJDZEHLSKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2S/c1-17(8-10-3-2-6-18-10)11-5-4-9(7-16)12(14)13(11)15/h2-6H,8H2,1H3.
What are the key properties of 2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile?
2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile has a molecular weight of 264.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 107933368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).