2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid

C9H13ClF3NO3 — CID 68525103

IUPAC2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC(Cl)=C1CCCNC1
InChIInChI=1S/C7H12ClNO.C2HF3O2/c8-7(5-10)6-2-1-3-9-4-6;3-2(4,5)1(6)7/h9-10H,1-5H2;(H,6,7)
InChIKeyZCAQSQWLFYDSLP-UHFFFAOYSA-N
MW275.65 g/mol
LogP1.49
Rot. Bonds1

About 2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid

2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid (PubChem CID 68525103) has the molecular formula C9H13ClF3NO3 and a molecular weight of 275.65 g/mol. Its IUPAC name is 2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
PubChem CID68525103
Molecular FormulaC9H13ClF3NO3
Molecular Weight275.65 g/mol
Exact Mass275.05
IUPAC Name2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC(Cl)=C1CCCNC1
InChIInChI=1S/C7H12ClNO.C2HF3O2/c8-7(5-10)6-2-1-3-9-4-6;3-2(4,5)1(6)7/h9-10H,1-5H2;(H,6,7)
InChIKeyZCAQSQWLFYDSLP-UHFFFAOYSA-N
XLogP1.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.65
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Piperidin-4-ylidenepropan-1-ol;2,2,2-trifluoroacetic acid
CID 68523338
2-Fluoro-2-(piperidin-3-ylidene)ethan-1-ol,trifluoroaceticacid
CID 68524027
2-Fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68524034
(2E)-2-Fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68525090
(2Z)-2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68525092
[(2Z)-2-chloro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate
CID 68525095
[(2E)-2-chloro-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate
CID 68525099
2-Piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68525260
2-Fluoro-2-piperidin-4-ylideneethanol;2,2,2-trifluoroacetic acid
CID 68690504
(2-Chloro-2-piperidin-3-ylideneethyl) 2,2,2-trifluoroacetate
CID 77509370
[(2Z)-2-chloro-1-hydroxy-2-piperidin-3-ylideneethyl] 2,2,2-trifluoroacetate
CID 140538008

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid (CID 68525103) is 2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCC(Cl)=C1CCCNC1.
What is the InChIKey of 2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid?
The InChIKey is ZCAQSQWLFYDSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO.C2HF3O2/c8-7(5-10)6-2-1-3-9-4-6;3-2(4,5)1(6)7/h9-10H,1-5H2;(H,6,7).
What are the key properties of 2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid?
2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid has a molecular weight of 275.65 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68525103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).