2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile

C10H11F2N3S — CID 118297269

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile
SMILESN#CC(c1cscn1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H11F2N3S/c11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8/h6-7,9H,1-4H2
InChIKeyKBXTYGRRNDRANK-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.44
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile

2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile (PubChem CID 118297269) has the molecular formula C10H11F2N3S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile
PubChem CID118297269
Molecular FormulaC10H11F2N3S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile
SMILESN#CC(c1cscn1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H11F2N3S/c11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8/h6-7,9H,1-4H2
InChIKeyKBXTYGRRNDRANK-UHFFFAOYSA-N
XLogP2.44
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile (CID 118297269) is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile is N#CC(c1cscn1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile?
The InChIKey is KBXTYGRRNDRANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3S/c11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8/h6-7,9H,1-4H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile?
2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile has a molecular weight of 243.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile is sourced from PubChem (CID 118297269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).