methyl 2-(difluoromethyl)piperidine-4-carboxylate

C8H13F2NO2 — CID 59536564

IUPACmethyl 2-(difluoromethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-13-8(12)5-2-3-11-6(4-5)7(9)10/h5-7,11H,2-4H2,1H3
InChIKeyMIWYOPMDNCXOIO-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.79
Rot. Bonds2

About methyl 2-(difluoromethyl)piperidine-4-carboxylate

methyl 2-(difluoromethyl)piperidine-4-carboxylate (PubChem CID 59536564) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is methyl 2-(difluoromethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethyl)piperidine-4-carboxylate
PubChem CID59536564
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Namemethyl 2-(difluoromethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-13-8(12)5-2-3-11-6(4-5)7(9)10/h5-7,11H,2-4H2,1H3
InChIKeyMIWYOPMDNCXOIO-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 2-(difluoromethyl)piperidine-4-carboxylate (CID 59536564) is methyl 2-(difluoromethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 2-(difluoromethyl)piperidine-4-carboxylate is COC(=O)C1CCNC(C(F)F)C1.
What is the InChIKey of methyl 2-(difluoromethyl)piperidine-4-carboxylate?
The InChIKey is MIWYOPMDNCXOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-13-8(12)5-2-3-11-6(4-5)7(9)10/h5-7,11H,2-4H2,1H3.
What are the key properties of methyl 2-(difluoromethyl)piperidine-4-carboxylate?
methyl 2-(difluoromethyl)piperidine-4-carboxylate has a molecular weight of 193.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(difluoromethyl)piperidine-4-carboxylate is sourced from PubChem (CID 59536564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).