methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate

C10H15F2NO2 — CID 169171710

IUPACmethyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H15F2NO2/c1-15-8(14)9(2-3-9)13-6-4-10(11,12)5-7-13/h2-7H2,1H3
InChIKeyPZQQPEKRNDRNLF-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.42
Rot. Bonds2

About methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate

methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate (PubChem CID 169171710) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate
PubChem CID169171710
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Namemethyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H15F2NO2/c1-15-8(14)9(2-3-9)13-6-4-10(11,12)5-7-13/h2-7H2,1H3
InChIKeyPZQQPEKRNDRNLF-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate
CID 144936847
bis(methyl (3S)-1',1'-difluorospiro[1-azabicyclo[3.2.0]heptane-3,2'-cyclopropane]-5-carboxylate);bis(methyl (3R)-1',1'-difluorospiro[1-azabicyclo[3.2.0]heptane-3,2'-cyclopropane]-5-carboxylate)
CID 167677867
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate
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methyl 4,4-dimethyl-1-piperazin-1-ylcycloheptane-1-carboxylate
CID 65085861
methyl 1,1-dioxo-4-piperazin-1-ylthiane-4-carboxylate
CID 54981399
methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909
methyl 3-[(4,4-difluoropiperidin-1-yl)methyl]oxetane-3-carboxylate
CID 116991268
methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 170677374
fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
CID 177213248
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
CID 168931490
methyl (2S)-2-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 58388106

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate (CID 169171710) is methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate is COC(=O)C1(N2CCC(F)(F)CC2)CC1.
What is the InChIKey of methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate?
The InChIKey is PZQQPEKRNDRNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-15-8(14)9(2-3-9)13-6-4-10(11,12)5-7-13/h2-7H2,1H3.
What are the key properties of methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate?
methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate has a molecular weight of 219.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 169171710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).