(2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid

C9H13F4NO3 — CID 68525090

IUPAC(2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC/C(F)=C1/CCCNC1
InChIInChI=1S/C7H12FNO.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)/b7-6+;
InChIKeyBTWUJCHMMRDPNQ-UHDJGPCESA-N
MW259.20 g/mol
LogP1.22
Rot. Bonds1

About (2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid

(2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid (PubChem CID 68525090) has the molecular formula C9H13F4NO3 and a molecular weight of 259.20 g/mol. Its IUPAC name is (2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
PubChem CID68525090
Molecular FormulaC9H13F4NO3
Molecular Weight259.20 g/mol
Exact Mass259.08
IUPAC Name(2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC/C(F)=C1/CCCNC1
InChIInChI=1S/C7H12FNO.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)/b7-6+;
InChIKeyBTWUJCHMMRDPNQ-UHDJGPCESA-N
XLogP1.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of (2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid (CID 68525090) is (2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC/C(F)=C1/CCCNC1.
What is the InChIKey of (2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid?
The InChIKey is BTWUJCHMMRDPNQ-UHDJGPCESA-N. The full InChI is InChI=1S/C7H12FNO.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)/b7-6+;.
What are the key properties of (2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid?
(2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid has a molecular weight of 259.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-fluoro-2-piperidin-3-ylideneethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68525090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).