3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen

C10H21F2NO — CID 171531442

IUPAC3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
SMILESCOCC1CCC(F)(F)C(C(C)C)N1.[H][H]
InChIInChI=1S/C10H19F2NO.H2/c1-7(2)9-10(11,12)5-4-8(13-9)6-14-3;/h7-9,13H,4-6H2,1-3H3;1H
InChIKeyJBMHOUJUGUGPGB-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.29
Rot. Bonds3

About 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen

3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen (PubChem CID 171531442) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen.

Molecular Properties

Compound Name3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
PubChem CID171531442
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
SMILESCOCC1CCC(F)(F)C(C(C)C)N1.[H][H]
InChIInChI=1S/C10H19F2NO.H2/c1-7(2)9-10(11,12)5-4-8(13-9)6-14-3;/h7-9,13H,4-6H2,1-3H3;1H
InChIKeyJBMHOUJUGUGPGB-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen?
The IUPAC name of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen (CID 171531442) is 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen.
What is the SMILES notation for 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen?
The canonical SMILES for 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen is COCC1CCC(F)(F)C(C(C)C)N1.[H][H].
What is the InChIKey of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen?
The InChIKey is JBMHOUJUGUGPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO.H2/c1-7(2)9-10(11,12)5-4-8(13-9)6-14-3;/h7-9,13H,4-6H2,1-3H3;1H.
What are the key properties of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen?
3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen has a molecular weight of 209.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen is sourced from PubChem (CID 171531442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).