4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine

C10H18F2N2O — CID 172732621

IUPAC4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine
SMILESCO[C@@H]1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C10H18F2N2O/c1-15-9-6-10(11,12)7-14(9)8-2-4-13-5-3-8/h8-9,13H,2-7H2,1H3/t9-/m1/s1
InChIKeyHZQZSIVGIGOBDL-SECBINFHSA-N
MW220.26 g/mol
LogP1.05
Rot. Bonds2

About 4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine

4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine (PubChem CID 172732621) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine
PubChem CID172732621
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine
SMILESCO[C@@H]1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C10H18F2N2O/c1-15-9-6-10(11,12)7-14(9)8-2-4-13-5-3-8/h8-9,13H,2-7H2,1H3/t9-/m1/s1
InChIKeyHZQZSIVGIGOBDL-SECBINFHSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine?
The IUPAC name of 4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine (CID 172732621) is 4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine.
What is the SMILES notation for 4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine?
The canonical SMILES for 4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine is CO[C@@H]1CC(F)(F)CN1C1CCNCC1.
What is the InChIKey of 4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine?
The InChIKey is HZQZSIVGIGOBDL-SECBINFHSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-15-9-6-10(11,12)7-14(9)8-2-4-13-5-3-8/h8-9,13H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of 4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine?
4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine has a molecular weight of 220.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine is sourced from PubChem (CID 172732621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).