(1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate

C10H14F5NO2 — CID 59648834

IUPAC(1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate
SMILESCN1CCC(COC(=O)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H14F5NO2/c1-16-4-2-7(3-5-16)6-18-8(17)9(11,12)10(13,14)15/h7H,2-6H2,1H3
InChIKeyXVSFDOCSUPWCHA-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.07
Rot. Bonds3

About (1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate

(1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 59648834) has the molecular formula C10H14F5NO2 and a molecular weight of 275.22 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID59648834
Molecular FormulaC10H14F5NO2
Molecular Weight275.22 g/mol
Exact Mass275.09
IUPAC Name(1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate
SMILESCN1CCC(COC(=O)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H14F5NO2/c1-16-4-2-7(3-5-16)6-18-8(17)9(11,12)10(13,14)15/h7H,2-6H2,1H3
InChIKeyXVSFDOCSUPWCHA-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate (CID 59648834) is (1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate is CN1CCC(COC(=O)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is XVSFDOCSUPWCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO2/c1-16-4-2-7(3-5-16)6-18-8(17)9(11,12)10(13,14)15/h7H,2-6H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate?
(1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 275.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 59648834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).