1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C16H18F5NO3 — CID 118765848

IUPAC1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C16H18F5NO3/c17-11-1-3-12(4-2-11)25-13-5-7-22(8-6-13)14(23)9-24-10-16(20,21)15(18)19/h1-4,13,15H,5-10H2
InChIKeyMJOJBPFYKLELEB-UHFFFAOYSA-N
MW367.31 g/mol
LogP3.11
Rot. Bonds7

About 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 118765848) has the molecular formula C16H18F5NO3 and a molecular weight of 367.31 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID118765848
Molecular FormulaC16H18F5NO3
Molecular Weight367.31 g/mol
Exact Mass367.12
IUPAC Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C16H18F5NO3/c17-11-1-3-12(4-2-11)25-13-5-7-22(8-6-13)14(23)9-24-10-16(20,21)15(18)19/h1-4,13,15H,5-10H2
InChIKeyMJOJBPFYKLELEB-UHFFFAOYSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 53.11
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-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 118765848) is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone is O=C(COCC(F)(F)C(F)F)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is MJOJBPFYKLELEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F5NO3/c17-11-1-3-12(4-2-11)25-13-5-7-22(8-6-13)14(23)9-24-10-16(20,21)15(18)19/h1-4,13,15H,5-10H2.
What are the key properties of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 367.31 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 118765848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).