(4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine

C7H13F2NO2 — CID 174773367

IUPAC(4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine
SMILESCOC1C[C@@H](OCC(F)F)CN1
InChIInChI=1S/C7H13F2NO2/c1-11-7-2-5(3-10-7)12-4-6(8)9/h5-7,10H,2-4H2,1H3/t5-,7?/m1/s1
InChIKeyIUSMPLAQQQWNJL-FOUAAFFMSA-N
MW181.18 g/mol
LogP0.60
Rot. Bonds4

About (4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine

(4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine (PubChem CID 174773367) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is (4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine.

Molecular Properties

Compound Name(4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine
PubChem CID174773367
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name(4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine
SMILESCOC1C[C@@H](OCC(F)F)CN1
InChIInChI=1S/C7H13F2NO2/c1-11-7-2-5(3-10-7)12-4-6(8)9/h5-7,10H,2-4H2,1H3/t5-,7?/m1/s1
InChIKeyIUSMPLAQQQWNJL-FOUAAFFMSA-N
XLogP0.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine?
The IUPAC name of (4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine (CID 174773367) is (4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine.
What is the SMILES notation for (4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine?
The canonical SMILES for (4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine is COC1C[C@@H](OCC(F)F)CN1.
What is the InChIKey of (4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine?
The InChIKey is IUSMPLAQQQWNJL-FOUAAFFMSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-11-7-2-5(3-10-7)12-4-6(8)9/h5-7,10H,2-4H2,1H3/t5-,7?/m1/s1.
What are the key properties of (4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine?
(4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine has a molecular weight of 181.18 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,2-difluoroethoxy)-2-methoxypyrrolidine is sourced from PubChem (CID 174773367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).