1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile

C11H10F2N2 — CID 67375006

IUPAC1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile
SMILESN#CC1(Nc2c(F)cccc2F)CCC1
InChIInChI=1S/C11H10F2N2/c12-8-3-1-4-9(13)10(8)15-11(7-14)5-2-6-11/h1,3-4,15H,2,5-6H2
InChIKeyPUVBDVTXDMILTG-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.82
Rot. Bonds2

About 1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile

1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile (PubChem CID 67375006) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile
PubChem CID67375006
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile
SMILESN#CC1(Nc2c(F)cccc2F)CCC1
InChIInChI=1S/C11H10F2N2/c12-8-3-1-4-9(13)10(8)15-11(7-14)5-2-6-11/h1,3-4,15H,2,5-6H2
InChIKeyPUVBDVTXDMILTG-UHFFFAOYSA-N
XLogP2.82
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile (CID 67375006) is 1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile is N#CC1(Nc2c(F)cccc2F)CCC1.
What is the InChIKey of 1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile?
The InChIKey is PUVBDVTXDMILTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c12-8-3-1-4-9(13)10(8)15-11(7-14)5-2-6-11/h1,3-4,15H,2,5-6H2.
What are the key properties of 1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile?
1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile has a molecular weight of 208.21 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 67375006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).