3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid

C10H16FNO4 — CID 135331522

IUPAC3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid
SMILESCCOC(=O)C1(CF)CCCN(C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-2-16-8(13)10(6-11)4-3-5-12(7-10)9(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyNNUNXFUCEFZKJK-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.28
Rot. Bonds3

About 3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid

3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid (PubChem CID 135331522) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid
PubChem CID135331522
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid
SMILESCCOC(=O)C1(CF)CCCN(C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-2-16-8(13)10(6-11)4-3-5-12(7-10)9(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyNNUNXFUCEFZKJK-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid (CID 135331522) is 3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid is CCOC(=O)C1(CF)CCCN(C(=O)O)C1.
What is the InChIKey of 3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid?
The InChIKey is NNUNXFUCEFZKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO4/c1-2-16-8(13)10(6-11)4-3-5-12(7-10)9(14)15/h2-7H2,1H3,(H,14,15).
What are the key properties of 3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid?
3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid has a molecular weight of 233.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 135331522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).