2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate

C11H20FNO2 — CID 88996270

IUPAC2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OCCF)CC1
InChIInChI=1S/C11H20FNO2/c1-9(2)10-3-6-13(7-4-10)11(14)15-8-5-12/h9-10H,3-8H2,1-2H3
InChIKeyWDJCERHLQDMMDW-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.46
Rot. Bonds3

About 2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate

2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 88996270) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate
PubChem CID88996270
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OCCF)CC1
InChIInChI=1S/C11H20FNO2/c1-9(2)10-3-6-13(7-4-10)11(14)15-8-5-12/h9-10H,3-8H2,1-2H3
InChIKeyWDJCERHLQDMMDW-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate (CID 88996270) is 2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate is CC(C)C1CCN(C(=O)OCCF)CC1.
What is the InChIKey of 2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is WDJCERHLQDMMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-9(2)10-3-6-13(7-4-10)11(14)15-8-5-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate?
2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 217.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 88996270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).