(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

Analyze (4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 18722933
1-Methyl-3-(4,4,4-trifluorobutoxy)pyrrolidine
CID 18722941
2-Methyl-4-(trifluoromethoxy)pyrrolidine
CID 68562745
(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
(3S)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine
CID 118553669
(3R)-1-methyl-3-(trifluoromethoxy)pyrrolidine
CID 118910993
1-Methyl-3-(trifluoromethoxy)pyrrolidine
CID 123333076
(3R)-3-(difluoromethoxy)-1-ethylpyrrolidine
CID 127017414

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).