1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane

C14H26F3NO — CID 177009997

IUPAC1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane
SMILESCC.COCC1(CN2CCC(F)CC2)CC(F)(F)C1
InChIInChI=1S/C12H20F3NO.C2H6/c1-17-9-11(6-12(14,15)7-11)8-16-4-2-10(13)3-5-16;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyAKKJUENJBPBSTN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.51
Rot. Bonds4

About 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane

1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane (PubChem CID 177009997) 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-fluoropiperidine;ethane.

Molecular Properties

Compound Name1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane
PubChem CID177009997
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane
SMILESCC.COCC1(CN2CCC(F)CC2)CC(F)(F)C1
InChIInChI=1S/C12H20F3NO.C2H6/c1-17-9-11(6-12(14,15)7-11)8-16-4-2-10(13)3-5-16;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyAKKJUENJBPBSTN-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-fluoropiperidine;ethane?
The IUPAC name of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane (CID 177009997) is 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane.
What is the SMILES notation for 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane?
The canonical SMILES for 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane is CC.COCC1(CN2CCC(F)CC2)CC(F)(F)C1.
What is the InChIKey of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane?
The InChIKey is AKKJUENJBPBSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO.C2H6/c1-17-9-11(6-12(14,15)7-11)8-16-4-2-10(13)3-5-16;1-2/h10H,2-9H2,1H3;1-2H3.
What are the key properties of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane?
1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane has a molecular weight of 281.36 g/mol, XLogP of 3.51, 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-fluoropiperidine;ethane is sourced from PubChem (CID 177009997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).