4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline

C11H12F4N2 — CID 170761054

IUPAC4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline
SMILESNc1c(F)cc(N2CCC(F)(F)CC2)cc1F
InChIInChI=1S/C11H12F4N2/c12-8-5-7(6-9(13)10(8)16)17-3-1-11(14,15)2-4-17/h5-6H,1-4,16H2
InChIKeyQFZCDBLKFMGZHR-UHFFFAOYSA-N
MW248.22 g/mol
LogP2.78
Rot. Bonds1

About 4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline

4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline (PubChem CID 170761054) has the molecular formula C11H12F4N2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline
PubChem CID170761054
Molecular FormulaC11H12F4N2
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline
SMILESNc1c(F)cc(N2CCC(F)(F)CC2)cc1F
InChIInChI=1S/C11H12F4N2/c12-8-5-7(6-9(13)10(8)16)17-3-1-11(14,15)2-4-17/h5-6H,1-4,16H2
InChIKeyQFZCDBLKFMGZHR-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline (CID 170761054) is 4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline is Nc1c(F)cc(N2CCC(F)(F)CC2)cc1F.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline?
The InChIKey is QFZCDBLKFMGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2/c12-8-5-7(6-9(13)10(8)16)17-3-1-11(14,15)2-4-17/h5-6H,1-4,16H2.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline?
4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline has a molecular weight of 248.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline is sourced from PubChem (CID 170761054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).