(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine

C9H17F2NO — CID 89094451

IUPAC(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1C[C@H](OC(F)F)CN1C
InChIInChI=1S/C9H17F2NO/c1-6(2)8-4-7(5-12(8)3)13-9(10)11/h6-9H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyYNKJFWGNSJQWFO-YUMQZZPRSA-N
MW193.24 g/mol
LogP1.95
Rot. Bonds3

About (2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine

(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine (PubChem CID 89094451) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine
PubChem CID89094451
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1C[C@H](OC(F)F)CN1C
InChIInChI=1S/C9H17F2NO/c1-6(2)8-4-7(5-12(8)3)13-9(10)11/h6-9H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyYNKJFWGNSJQWFO-YUMQZZPRSA-N
XLogP1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine (CID 89094451) is (2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine is CC(C)[C@@H]1C[C@H](OC(F)F)CN1C.
What is the InChIKey of (2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine?
The InChIKey is YNKJFWGNSJQWFO-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(2)8-4-7(5-12(8)3)13-9(10)11/h6-9H,4-5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine?
(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 89094451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).