(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine

C8H15F2N — CID 176851982

IUPAC(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
SMILESCC(C)N1C[C@H](F)C[C@H](F)C1
InChIInChI=1S/C8H15F2N/c1-6(2)11-4-7(9)3-8(10)5-11/h6-8H,3-5H2,1-2H3/t7-,8+
InChIKeyGAWFDRDBOOBBOB-OCAPTIKFSA-N
MW163.21 g/mol
LogP1.78
Rot. Bonds1

About (3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine

(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine (PubChem CID 176851982) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
PubChem CID176851982
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
SMILESCC(C)N1C[C@H](F)C[C@H](F)C1
InChIInChI=1S/C8H15F2N/c1-6(2)11-4-7(9)3-8(10)5-11/h6-8H,3-5H2,1-2H3/t7-,8+
InChIKeyGAWFDRDBOOBBOB-OCAPTIKFSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,4-dimethyl-1-propan-2-ylpyrrolidine
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1-(3-fluoroazetidin-1-yl)ethanethiol
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(3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine
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(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine?
The IUPAC name of (3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine (CID 176851982) is (3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine.
What is the SMILES notation for (3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine?
The canonical SMILES for (3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine is CC(C)N1C[C@H](F)C[C@H](F)C1.
What is the InChIKey of (3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine?
The InChIKey is GAWFDRDBOOBBOB-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(2)11-4-7(9)3-8(10)5-11/h6-8H,3-5H2,1-2H3/t7-,8+.
What are the key properties of (3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine?
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine has a molecular weight of 163.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine is sourced from PubChem (CID 176851982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).