[4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate

C14H21F5N2O2 — CID 140777271

IUPAC[4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(CCC2CN(CC(F)F)C2)CC1)C(F)(F)F
InChIInChI=1S/C14H21F5N2O2/c15-12(16)9-20-7-11(8-20)2-1-10-3-5-21(6-4-10)23-13(22)14(17,18)19/h10-12H,1-9H2
InChIKeyFMVXGLNDBYYROZ-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.70
Rot. Bonds6

About [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate

[4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 140777271) has the molecular formula C14H21F5N2O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID140777271
Molecular FormulaC14H21F5N2O2
Molecular Weight344.32 g/mol
Exact Mass344.15
IUPAC Name[4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(CCC2CN(CC(F)F)C2)CC1)C(F)(F)F
InChIInChI=1S/C14H21F5N2O2/c15-12(16)9-20-7-11(8-20)2-1-10-3-5-21(6-4-10)23-13(22)14(17,18)19/h10-12H,1-9H2
InChIKeyFMVXGLNDBYYROZ-UHFFFAOYSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate (CID 140777271) is [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate is O=C(ON1CCC(CCC2CN(CC(F)F)C2)CC1)C(F)(F)F.
What is the InChIKey of [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is FMVXGLNDBYYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F5N2O2/c15-12(16)9-20-7-11(8-20)2-1-10-3-5-21(6-4-10)23-13(22)14(17,18)19/h10-12H,1-9H2.
What are the key properties of [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 344.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140777271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).