(2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine

C9H17F2NO — CID 167254822

IUPAC(2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine
SMILESCO[C@@H](C)[C@@H]1CC(F)(F)CCN1C
InChIInChI=1S/C9H17F2NO/c1-7(13-3)8-6-9(10,11)4-5-12(8)2/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyQOCYLDBGXPZKRG-YUMQZZPRSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds2

About (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine

(2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine (PubChem CID 167254822) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine.

Molecular Properties

Compound Name(2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine
PubChem CID167254822
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine
SMILESCO[C@@H](C)[C@@H]1CC(F)(F)CCN1C
InChIInChI=1S/C9H17F2NO/c1-7(13-3)8-6-9(10,11)4-5-12(8)2/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyQOCYLDBGXPZKRG-YUMQZZPRSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine?
The IUPAC name of (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine (CID 167254822) is (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine.
What is the SMILES notation for (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine?
The canonical SMILES for (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine is CO[C@@H](C)[C@@H]1CC(F)(F)CCN1C.
What is the InChIKey of (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine?
The InChIKey is QOCYLDBGXPZKRG-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(13-3)8-6-9(10,11)4-5-12(8)2/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine?
(2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-2-[(1S)-1-methoxyethyl]-1-methylpiperidine is sourced from PubChem (CID 167254822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).