(3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine

C8H15F2NO — CID 130669837

IUPAC(3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@@H](OC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-4-3-7(5-11)12-8(9)10/h6-8H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyKDRACHSZDGZOHW-SSDOTTSWSA-N
MW179.21 g/mol
LogP1.71
Rot. Bonds3

About (3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine

(3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine (PubChem CID 130669837) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine
PubChem CID130669837
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@@H](OC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-4-3-7(5-11)12-8(9)10/h6-8H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyKDRACHSZDGZOHW-SSDOTTSWSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 18722933
1-Methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 18722936
1-Methyl-3-(4,4,4-trifluorobutoxy)pyrrolidine
CID 18722941
3,3-Difluoro-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57585794
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
3,3-Difluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222106
(2R,4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine
CID 89595707
(4S)-1,2-dimethyl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 89595711
(2R,4S)-1,2-dimethyl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 89887889
(2R)-4-(2,2-difluoroethoxy)-1,2-dimethylpyrrolidine
CID 89945475
(2R)-1,2-dimethyl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 89945562
(3R,4R)-3-fluoro-4-methoxy-1-methylpyrrolidine
CID 90078042

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine?
The IUPAC name of (3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine (CID 130669837) is (3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine is CC(C)N1CC[C@@H](OC(F)F)C1.
What is the InChIKey of (3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine?
The InChIKey is KDRACHSZDGZOHW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)11-4-3-7(5-11)12-8(9)10/h6-8H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine?
(3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine has a molecular weight of 179.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(difluoromethoxy)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 130669837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).