methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate

C10H17F2NO3 — CID 170786706

IUPACmethyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate
SMILESCOCCN1CC(C(=O)OC)CC(F)(F)C1
InChIInChI=1S/C10H17F2NO3/c1-15-4-3-13-6-8(9(14)16-2)5-10(11,12)7-13/h8H,3-7H2,1-2H3
InChIKeyRPRNZWDNYPQWDD-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.76
Rot. Bonds4

About methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate

methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate (PubChem CID 170786706) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate
PubChem CID170786706
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Namemethyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate
SMILESCOCCN1CC(C(=O)OC)CC(F)(F)C1
InChIInChI=1S/C10H17F2NO3/c1-15-4-3-13-6-8(9(14)16-2)5-10(11,12)7-13/h8H,3-7H2,1-2H3
InChIKeyRPRNZWDNYPQWDD-UHFFFAOYSA-N
XLogP0.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate?
The IUPAC name of methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate (CID 170786706) is methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate is COCCN1CC(C(=O)OC)CC(F)(F)C1.
What is the InChIKey of methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate?
The InChIKey is RPRNZWDNYPQWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-15-4-3-13-6-8(9(14)16-2)5-10(11,12)7-13/h8H,3-7H2,1-2H3.
What are the key properties of methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate?
methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-difluoro-1-(2-methoxyethyl)piperidine-3-carboxylate is sourced from PubChem (CID 170786706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).