1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane

C15H30F3NO — CID 177009498

IUPAC1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane
SMILESCC.CF.COCC1(CN2CCCCC2)CC(F)(F)C1
InChIInChI=1S/C12H21F2NO.C2H6.CH3F/c1-16-10-11(7-12(13,14)8-11)9-15-5-3-2-4-6-15;2*1-2/h2-10H2,1H3;1-2H3;1H3
InChIKeyPAKSNSGGOXZMDO-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.15
Rot. Bonds4

About 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane

1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane (PubChem CID 177009498) has the molecular formula C15H30F3NO and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane.

Molecular Properties

Compound Name1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane
PubChem CID177009498
Molecular FormulaC15H30F3NO
Molecular Weight297.40 g/mol
Exact Mass297.23
IUPAC Name1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane
SMILESCC.CF.COCC1(CN2CCCCC2)CC(F)(F)C1
InChIInChI=1S/C12H21F2NO.C2H6.CH3F/c1-16-10-11(7-12(13,14)8-11)9-15-5-3-2-4-6-15;2*1-2/h2-10H2,1H3;1-2H3;1H3
InChIKeyPAKSNSGGOXZMDO-UHFFFAOYSA-N
XLogP4.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.15
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]piperidine;ethane;fluoromethane?
The IUPAC name of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane (CID 177009498) is 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane.
What is the SMILES notation for 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane?
The canonical SMILES for 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane is CC.CF.COCC1(CN2CCCCC2)CC(F)(F)C1.
What is the InChIKey of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane?
The InChIKey is PAKSNSGGOXZMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO.C2H6.CH3F/c1-16-10-11(7-12(13,14)8-11)9-15-5-3-2-4-6-15;2*1-2/h2-10H2,1H3;1-2H3;1H3.
What are the key properties of 1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane?
1-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane has a molecular weight of 297.40 g/mol, XLogP of 4.15, 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]piperidine;ethane;fluoromethane is sourced from PubChem (CID 177009498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).