(4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid

C8H13F4NO3 — CID 129284280

IUPAC(4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1(F)CCNCC1
InChIInChI=1S/C6H12FNO.C2HF3O2/c7-6(5-9)1-3-8-4-2-6;3-2(4,5)1(6)7/h8-9H,1-5H2;(H,6,7)
InChIKeyULNONJNPOIBFAP-UHFFFAOYSA-N
MW247.19 g/mol
LogP0.70
Rot. Bonds1

About (4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid

(4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid (PubChem CID 129284280) has the molecular formula C8H13F4NO3 and a molecular weight of 247.19 g/mol. Its IUPAC name is (4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid
PubChem CID129284280
Molecular FormulaC8H13F4NO3
Molecular Weight247.19 g/mol
Exact Mass247.08
IUPAC Name(4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1(F)CCNCC1
InChIInChI=1S/C6H12FNO.C2HF3O2/c7-6(5-9)1-3-8-4-2-6;3-2(4,5)1(6)7/h8-9H,1-5H2;(H,6,7)
InChIKeyULNONJNPOIBFAP-UHFFFAOYSA-N
XLogP0.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid (CID 129284280) is (4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCC1(F)CCNCC1.
What is the InChIKey of (4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid?
The InChIKey is ULNONJNPOIBFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO.C2HF3O2/c7-6(5-9)1-3-8-4-2-6;3-2(4,5)1(6)7/h8-9H,1-5H2;(H,6,7).
What are the key properties of (4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid?
(4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid has a molecular weight of 247.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129284280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).