1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane

C14H26F3NO — CID 177010138

IUPAC1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane
SMILESCF.COCC1(CN2CCC(C)CC2)CC(F)(F)C1
InChIInChI=1S/C13H23F2NO.CH3F/c1-11-3-5-16(6-4-11)9-12(10-17-2)7-13(14,15)8-12;1-2/h11H,3-10H2,1-2H3;1H3
InChIKeyLHLVKPLACPKFLP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.37
Rot. Bonds4

About 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane

1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane (PubChem CID 177010138) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane.

Molecular Properties

Compound Name1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane
PubChem CID177010138
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane
SMILESCF.COCC1(CN2CCC(C)CC2)CC(F)(F)C1
InChIInChI=1S/C13H23F2NO.CH3F/c1-11-3-5-16(6-4-11)9-12(10-17-2)7-13(14,15)8-12;1-2/h11H,3-10H2,1-2H3;1H3
InChIKeyLHLVKPLACPKFLP-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane?
The IUPAC name of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane (CID 177010138) is 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane.
What is the SMILES notation for 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane?
The canonical SMILES for 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane is CF.COCC1(CN2CCC(C)CC2)CC(F)(F)C1.
What is the InChIKey of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane?
The InChIKey is LHLVKPLACPKFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO.CH3F/c1-11-3-5-16(6-4-11)9-12(10-17-2)7-13(14,15)8-12;1-2/h11H,3-10H2,1-2H3;1H3.
What are the key properties of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane?
1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane has a molecular weight of 281.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane is sourced from PubChem (CID 177010138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).