(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine

C8H16FNO — CID 118551859

IUPAC(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@H]1CCNC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-6(2)11-8-3-4-10-5-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyMMESPYHLDUZODB-SFYZADRCSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds2

About (3R,4S)-3-fluoro-4-propan-2-yloxypiperidine

(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine (PubChem CID 118551859) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine
PubChem CID118551859
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@H]1CCNC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-6(2)11-8-3-4-10-5-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyMMESPYHLDUZODB-SFYZADRCSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-3-fluoro-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 (3R,4S)-3-fluoro-4-propan-2-yloxypiperidine?
The IUPAC name of (3R,4S)-3-fluoro-4-propan-2-yloxypiperidine (CID 118551859) is (3R,4S)-3-fluoro-4-propan-2-yloxypiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-4-propan-2-yloxypiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-4-propan-2-yloxypiperidine is CC(C)O[C@H]1CCNC[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-propan-2-yloxypiperidine?
The InChIKey is MMESPYHLDUZODB-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)11-8-3-4-10-5-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-4-propan-2-yloxypiperidine?
(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-propan-2-yloxypiperidine is sourced from PubChem (CID 118551859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).