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

C12H20F3NO — CID 177009998

IUPAC1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine
SMILESCOCC1(CN2CCC(F)CC2)CC(F)(F)C1
InChIInChI=1S/C12H20F3NO/c1-17-9-11(6-12(14,15)7-11)8-16-4-2-10(13)3-5-16/h10H,2-9H2,1H3
InChIKeyUNDXAFCRXURSSF-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.48
Rot. Bonds4

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

1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine (PubChem CID 177009998) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine
PubChem CID177009998
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine
SMILESCOCC1(CN2CCC(F)CC2)CC(F)(F)C1
InChIInChI=1S/C12H20F3NO/c1-17-9-11(6-12(14,15)7-11)8-16-4-2-10(13)3-5-16/h10H,2-9H2,1H3
InChIKeyUNDXAFCRXURSSF-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.48
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?
The IUPAC name of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine (CID 177009998) is 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine?
The canonical SMILES for 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine is COCC1(CN2CCC(F)CC2)CC(F)(F)C1.
What is the InChIKey of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine?
The InChIKey is UNDXAFCRXURSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-17-9-11(6-12(14,15)7-11)8-16-4-2-10(13)3-5-16/h10H,2-9H2,1H3.
What are the key properties of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine?
1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine has a molecular weight of 251.29 g/mol, XLogP of 2.48, 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 is sourced from PubChem (CID 177009998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).