5,5-difluoro-2-(propan-2-yloxymethyl)piperidine

C9H17F2NO — CID 176568305

IUPAC5,5-difluoro-2-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1CCC(F)(F)CN1
InChIInChI=1S/C9H17F2NO/c1-7(2)13-5-8-3-4-9(10,11)6-12-8/h7-8,12H,3-6H2,1-2H3
InChIKeyPGULFWAGRLTNKI-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds3

About 5,5-difluoro-2-(propan-2-yloxymethyl)piperidine

5,5-difluoro-2-(propan-2-yloxymethyl)piperidine (PubChem CID 176568305) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 5,5-difluoro-2-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name5,5-difluoro-2-(propan-2-yloxymethyl)piperidine
PubChem CID176568305
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name5,5-difluoro-2-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1CCC(F)(F)CN1
InChIInChI=1S/C9H17F2NO/c1-7(2)13-5-8-3-4-9(10,11)6-12-8/h7-8,12H,3-6H2,1-2H3
InChIKeyPGULFWAGRLTNKI-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,5-difluoropiperidin-2-yl)methanamine
CID 171530972
[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 97357063
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
5,5-difluoro-2-(methylsulfonylmethyl)piperidine
CID 105466686
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
tert-butyl formate;[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 174758740
1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane
CID 121387179
(2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride
CID 155765954
1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
3-(propan-2-yloxymethyl)thiazetidine 1-oxide
CID 176568564
3-(propan-2-yloxymethyl)morpholine
CID 59176321
(2S)-6,6-difluoro-2-(propan-2-yloxymethyl)-1,4-oxazepane
CID 176863619

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 5,5-difluoro-2-(propan-2-yloxymethyl)piperidine (CID 176568305) is 5,5-difluoro-2-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 5,5-difluoro-2-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 5,5-difluoro-2-(propan-2-yloxymethyl)piperidine is CC(C)OCC1CCC(F)(F)CN1.
What is the InChIKey of 5,5-difluoro-2-(propan-2-yloxymethyl)piperidine?
The InChIKey is PGULFWAGRLTNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)13-5-8-3-4-9(10,11)6-12-8/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 5,5-difluoro-2-(propan-2-yloxymethyl)piperidine?
5,5-difluoro-2-(propan-2-yloxymethyl)piperidine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 176568305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).