2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile

C12H8F2N2S — CID 23457207

IUPAC2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile
SMILESN#CCc1cscc1Nc1c(F)cccc1F
InChIInChI=1S/C12H8F2N2S/c13-9-2-1-3-10(14)12(9)16-11-7-17-6-8(11)4-5-15/h1-3,6-7,16H,4H2
InChIKeyFTWVZONBZVOWIZ-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.84
Rot. Bonds3

About 2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile

2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile (PubChem CID 23457207) has the molecular formula C12H8F2N2S and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile
PubChem CID23457207
Molecular FormulaC12H8F2N2S
Molecular Weight250.27 g/mol
Exact Mass250.04
IUPAC Name2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile
SMILESN#CCc1cscc1Nc1c(F)cccc1F
InChIInChI=1S/C12H8F2N2S/c13-9-2-1-3-10(14)12(9)16-11-7-17-6-8(11)4-5-15/h1-3,6-7,16H,4H2
InChIKeyFTWVZONBZVOWIZ-UHFFFAOYSA-N
XLogP3.84
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile?
The IUPAC name of 2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile (CID 23457207) is 2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile.
What is the SMILES notation for 2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile?
The canonical SMILES for 2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile is N#CCc1cscc1Nc1c(F)cccc1F.
What is the InChIKey of 2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile?
The InChIKey is FTWVZONBZVOWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2S/c13-9-2-1-3-10(14)12(9)16-11-7-17-6-8(11)4-5-15/h1-3,6-7,16H,4H2.
What are the key properties of 2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile?
2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile has a molecular weight of 250.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluoroanilino)thiophen-3-yl]acetonitrile is sourced from PubChem (CID 23457207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).