methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate

C10H14F5NO2 — CID 84810677

IUPACmethyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate
SMILESCOC(=O)C1(CC(F)(F)F)CN(C)CCC1(F)F
InChIInChI=1S/C10H14F5NO2/c1-16-4-3-9(11,12)8(6-16,7(17)18-2)5-10(13,14)15/h3-6H2,1-2H3
InChIKeyCPHBYZJRWWOWSY-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.07
Rot. Bonds2

About methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate

methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate (PubChem CID 84810677) has the molecular formula C10H14F5NO2 and a molecular weight of 275.22 g/mol. Its IUPAC name is methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate
PubChem CID84810677
Molecular FormulaC10H14F5NO2
Molecular Weight275.22 g/mol
Exact Mass275.09
IUPAC Namemethyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate
SMILESCOC(=O)C1(CC(F)(F)F)CN(C)CCC1(F)F
InChIInChI=1S/C10H14F5NO2/c1-16-4-3-9(11,12)8(6-16,7(17)18-2)5-10(13,14)15/h3-6H2,1-2H3
InChIKeyCPHBYZJRWWOWSY-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,3-difluoro-4-(2,2,2-trifluoroethyl)oxane-4-carboxylate
CID 84807051
4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid
CID 84797346
methyl 4-(2,2-dimethylpropyl)-3,3-difluoro-1,1-dioxothiane-4-carboxylate
CID 84816032
methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate
CID 62977346
methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate
CID 62977535
methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate
CID 62977159
methyl 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-3-carboxylate
CID 79049796
3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
CID 21469156
methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate
CID 62976966
1-O-tert-butyl 4-O-methyl 3,3-difluoro-4-methylpiperidine-1,4-dicarboxylate
CID 84815102
1-O-tert-butyl 3-O-methyl (3R)-3-fluoropyrrolidine-1,3-dicarboxylate
CID 86685754

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate?
The IUPAC name of methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate (CID 84810677) is methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate is COC(=O)C1(CC(F)(F)F)CN(C)CCC1(F)F.
What is the InChIKey of methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate?
The InChIKey is CPHBYZJRWWOWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO2/c1-16-4-3-9(11,12)8(6-16,7(17)18-2)5-10(13,14)15/h3-6H2,1-2H3.
What are the key properties of methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate?
methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate has a molecular weight of 275.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-difluoro-1-methyl-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylate is sourced from PubChem (CID 84810677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).