(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine

C9H17F2NO — CID 139364337

IUPAC(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine
SMILESCC(C)O[C@@H]1CN(C)C[C@H]1C(F)F
InChIInChI=1S/C9H17F2NO/c1-6(2)13-8-5-12(3)4-7(8)9(10)11/h6-9H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyHPANMYRHXRGCJR-HTQZYQBOSA-N
MW193.24 g/mol
LogP1.61
Rot. Bonds3

About (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine

(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine (PubChem CID 139364337) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine
PubChem CID139364337
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine
SMILESCC(C)O[C@@H]1CN(C)C[C@H]1C(F)F
InChIInChI=1S/C9H17F2NO/c1-6(2)13-8-5-12(3)4-7(8)9(10)11/h6-9H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyHPANMYRHXRGCJR-HTQZYQBOSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine?
The IUPAC name of (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine (CID 139364337) is (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine.
What is the SMILES notation for (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine?
The canonical SMILES for (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine is CC(C)O[C@@H]1CN(C)C[C@H]1C(F)F.
What is the InChIKey of (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine?
The InChIKey is HPANMYRHXRGCJR-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(2)13-8-5-12(3)4-7(8)9(10)11/h6-9H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine?
(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine is sourced from PubChem (CID 139364337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).