(3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol

C8H15F2NO2 — CID 73437712

IUPAC(3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol
SMILESCC[C@@H](F)[C@@]1(F)CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15F2NO2/c1-2-6(9)8(10)4-11-3-5(12)7(8)13/h5-7,11-13H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKeyYOKCZFORZLGKRR-NGJRWZKOSA-N
MW195.21 g/mol
LogP-0.23
Rot. Bonds2

About (3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol

(3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol (PubChem CID 73437712) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is (3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol
PubChem CID73437712
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name(3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol
SMILESCC[C@@H](F)[C@@]1(F)CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15F2NO2/c1-2-6(9)8(10)4-11-3-5(12)7(8)13/h5-7,11-13H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKeyYOKCZFORZLGKRR-NGJRWZKOSA-N
XLogP-0.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol?
The IUPAC name of (3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol (CID 73437712) is (3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol is CC[C@@H](F)[C@@]1(F)CNC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol?
The InChIKey is YOKCZFORZLGKRR-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-2-6(9)8(10)4-11-3-5(12)7(8)13/h5-7,11-13H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1.
What are the key properties of (3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol?
(3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol has a molecular weight of 195.21 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol is sourced from PubChem (CID 73437712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).