(2S)-1-ethyl-4,4-difluoro-2-methylpiperidine

C8H15F2N — CID 156560046

IUPAC(2S)-1-ethyl-4,4-difluoro-2-methylpiperidine
SMILESCCN1CCC(F)(F)C[C@@H]1C
InChIInChI=1S/C8H15F2N/c1-3-11-5-4-8(9,10)6-7(11)2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLEXNLCLBSGDDKZ-ZETCQYMHSA-N
MW163.21 g/mol
LogP2.13
Rot. Bonds1

About (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine

(2S)-1-ethyl-4,4-difluoro-2-methylpiperidine (PubChem CID 156560046) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-ethyl-4,4-difluoro-2-methylpiperidine
PubChem CID156560046
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(2S)-1-ethyl-4,4-difluoro-2-methylpiperidine
SMILESCCN1CCC(F)(F)C[C@@H]1C
InChIInChI=1S/C8H15F2N/c1-3-11-5-4-8(9,10)6-7(11)2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLEXNLCLBSGDDKZ-ZETCQYMHSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-1-ethyl-4,4-difluoro-2-methylpiperidine
CID 174261400
1,2-diethyl-4,4-difluoropiperidine
CID 177032235
2-ethyl-4,4-difluoro-1-propylpiperidine
CID 177032816
(2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine
CID 163939113
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
ethane;1-ethyl-2-methylazepane
CID 145020951
2-ethyl-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
CID 146528968
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
1-ethyl-3,3-difluoro-2-propan-2-ylpiperidine
CID 170771668
6,7-diethyl-6-azaspiro[2.5]octane
CID 166936475
7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
CID 90054026

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine?
The IUPAC name of (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine (CID 156560046) is (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine.
What is the SMILES notation for (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine?
The canonical SMILES for (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine is CCN1CCC(F)(F)C[C@@H]1C.
What is the InChIKey of (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine?
The InChIKey is LEXNLCLBSGDDKZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15F2N/c1-3-11-5-4-8(9,10)6-7(11)2/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine?
(2S)-1-ethyl-4,4-difluoro-2-methylpiperidine has a molecular weight of 163.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-4,4-difluoro-2-methylpiperidine is sourced from PubChem (CID 156560046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).