3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid

C8H13F4NO2 — CID 175713027

IUPAC3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid
SMILESCN1CCCC(F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12FN.C2HF3O2/c1-8-4-2-3-6(7)5-8;3-2(4,5)1(6)7/h6H,2-5H2,1H3;(H,6,7)
InChIKeyUNIFYWUNULMFAN-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.68
Rot. Bonds

About 3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid

3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 175713027) has the molecular formula C8H13F4NO2 and a molecular weight of 231.19 g/mol. Its IUPAC name is 3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID175713027
Molecular FormulaC8H13F4NO2
Molecular Weight231.19 g/mol
Exact Mass231.09
IUPAC Name3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid
SMILESCN1CCCC(F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12FN.C2HF3O2/c1-8-4-2-3-6(7)5-8;3-2(4,5)1(6)7/h6H,2-5H2,1H3;(H,6,7)
InChIKeyUNIFYWUNULMFAN-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid (CID 175713027) is 3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid is CN1CCCC(F)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is UNIFYWUNULMFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN.C2HF3O2/c1-8-4-2-3-6(7)5-8;3-2(4,5)1(6)7/h6H,2-5H2,1H3;(H,6,7).
What are the key properties of 3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid?
3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 231.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175713027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).