(4S)-3,3-difluoro-4-propan-2-yloxypiperidine

C8H15F2NO — CID 121261754

IUPAC(4S)-3,3-difluoro-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@H]1CCNCC1(F)F
InChIInChI=1S/C8H15F2NO/c1-6(2)12-7-3-4-11-5-8(7,9)10/h6-7,11H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyPPKQNFOHJYDTHX-ZETCQYMHSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds2

About (4S)-3,3-difluoro-4-propan-2-yloxypiperidine

(4S)-3,3-difluoro-4-propan-2-yloxypiperidine (PubChem CID 121261754) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (4S)-3,3-difluoro-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name(4S)-3,3-difluoro-4-propan-2-yloxypiperidine
PubChem CID121261754
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(4S)-3,3-difluoro-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@H]1CCNCC1(F)F
InChIInChI=1S/C8H15F2NO/c1-6(2)12-7-3-4-11-5-8(7,9)10/h6-7,11H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyPPKQNFOHJYDTHX-ZETCQYMHSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-3,3-difluoro-4-propan-2-yloxypiperidine 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 (4S)-3,3-difluoro-4-propan-2-yloxypiperidine?
The IUPAC name of (4S)-3,3-difluoro-4-propan-2-yloxypiperidine (CID 121261754) is (4S)-3,3-difluoro-4-propan-2-yloxypiperidine.
What is the SMILES notation for (4S)-3,3-difluoro-4-propan-2-yloxypiperidine?
The canonical SMILES for (4S)-3,3-difluoro-4-propan-2-yloxypiperidine is CC(C)O[C@H]1CCNCC1(F)F.
What is the InChIKey of (4S)-3,3-difluoro-4-propan-2-yloxypiperidine?
The InChIKey is PPKQNFOHJYDTHX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)12-7-3-4-11-5-8(7,9)10/h6-7,11H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (4S)-3,3-difluoro-4-propan-2-yloxypiperidine?
(4S)-3,3-difluoro-4-propan-2-yloxypiperidine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-4-propan-2-yloxypiperidine is sourced from PubChem (CID 121261754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).