(3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate

C8H10F5NO3 — CID 138731944

IUPAC(3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCOC1CCN(OC(=O)C(F)(F)F)CC1(F)F
InChIInChI=1S/C8H10F5NO3/c1-16-5-2-3-14(4-7(5,9)10)17-6(15)8(11,12)13/h5H,2-4H2,1H3
InChIKeyQIXBWPRZRSOVIJ-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.36
Rot. Bonds2

About (3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate

(3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 138731944) has the molecular formula C8H10F5NO3 and a molecular weight of 263.16 g/mol. Its IUPAC name is (3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID138731944
Molecular FormulaC8H10F5NO3
Molecular Weight263.16 g/mol
Exact Mass263.06
IUPAC Name(3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCOC1CCN(OC(=O)C(F)(F)F)CC1(F)F
InChIInChI=1S/C8H10F5NO3/c1-16-5-2-3-14(4-7(5,9)10)17-6(15)8(11,12)13/h5H,2-4H2,1H3
InChIKeyQIXBWPRZRSOVIJ-UHFFFAOYSA-N
XLogP1.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Oxopiperidin-1-ium-4-yl) 2,2,2-trifluoroacetate
CID 17960332
[4-(5-Methoxypentoxy)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 22492945
(1-Methylpiperidin-4-yl) 2,2-difluoropropanoate
CID 58571494
[4-(2,2,2-Trifluoroethoxy)piperidin-1-yl] acetate
CID 66686155
(2-Methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate
CID 67088461
(4-Methoxypiperidin-1-yl) 2,2,2-trifluoroacetate
CID 68438518
(4-Methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 69043204
(4-Ethoxypiperidin-1-yl) 2,2,2-trifluoroacetate
CID 69678638
(4-Butoxypiperidin-1-yl) 2,2,2-trifluoroacetate
CID 69679237
(4-Propoxypiperidin-1-yl) 2,2,2-trifluoroacetate
CID 69679597
[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl] 2,2,2-trifluoroacetate
CID 140255262
[4-(2-Methoxyethoxy)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 156448806

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate (CID 138731944) is (3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate is COC1CCN(OC(=O)C(F)(F)F)CC1(F)F.
What is the InChIKey of (3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is QIXBWPRZRSOVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO3/c1-16-5-2-3-14(4-7(5,9)10)17-6(15)8(11,12)13/h5H,2-4H2,1H3.
What are the key properties of (3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate?
(3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 263.16 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 138731944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).