[4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate

C8H10F5NO2 — CID 68758254

IUPAC[4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(C(F)F)CC1)C(F)(F)F
InChIInChI=1S/C8H10F5NO2/c9-6(10)5-1-3-14(4-2-5)16-7(15)8(11,12)13/h5-6H,1-4H2
InChIKeyVNZNANWGFIDBCS-UHFFFAOYSA-N
MW247.16 g/mol
LogP1.98
Rot. Bonds2

About [4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate

[4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 68758254) has the molecular formula C8H10F5NO2 and a molecular weight of 247.16 g/mol. Its IUPAC name is [4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID68758254
Molecular FormulaC8H10F5NO2
Molecular Weight247.16 g/mol
Exact Mass247.06
IUPAC Name[4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(C(F)F)CC1)C(F)(F)F
InChIInChI=1S/C8H10F5NO2/c9-6(10)5-1-3-14(4-2-5)16-7(15)8(11,12)13/h5-6H,1-4H2
InChIKeyVNZNANWGFIDBCS-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate (CID 68758254) is [4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate is O=C(ON1CCC(C(F)F)CC1)C(F)(F)F.
What is the InChIKey of [4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is VNZNANWGFIDBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO2/c9-6(10)5-1-3-14(4-2-5)16-7(15)8(11,12)13/h5-6H,1-4H2.
What are the key properties of [4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 247.16 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68758254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).