(4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine

C7H13F2NO — CID 118569362

IUPAC(4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine
SMILESCC1C[C@H](OC(F)F)CN1C
InChIInChI=1S/C7H13F2NO/c1-5-3-6(4-10(5)2)11-7(8)9/h5-7H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyXBFOWTAXULGJMW-GDVGLLTNSA-N
MW165.18 g/mol
LogP1.32
Rot. Bonds2

About (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine

(4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine (PubChem CID 118569362) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine
PubChem CID118569362
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine
SMILESCC1C[C@H](OC(F)F)CN1C
InChIInChI=1S/C7H13F2NO/c1-5-3-6(4-10(5)2)11-7(8)9/h5-7H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyXBFOWTAXULGJMW-GDVGLLTNSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine?
The IUPAC name of (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine (CID 118569362) is (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine.
What is the SMILES notation for (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine?
The canonical SMILES for (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine is CC1C[C@H](OC(F)F)CN1C.
What is the InChIKey of (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine?
The InChIKey is XBFOWTAXULGJMW-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5-3-6(4-10(5)2)11-7(8)9/h5-7H,3-4H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine?
(4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine has a molecular weight of 165.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 118569362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).