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

C9H17F2NO — CID 139364406

IUPAC(3S,4R)-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-/m0/s1
InChIKeyHPANMYRHXRGCJR-YUMQZZPRSA-N
MW193.24 g/mol
LogP1.61
Rot. Bonds3

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

(3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine (PubChem CID 139364406) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name(3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine
PubChem CID139364406
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(3S,4R)-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-/m0/s1
InChIKeyHPANMYRHXRGCJR-YUMQZZPRSA-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 (3S,4R)-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

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
1-[2-(2,3-Dimethylbutan-2-yloxy)ethyl]-3,3-difluoropyrrolidine
CID 57637188
3-Fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140054
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58215858
2-Propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine
CID 58468999
N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine
CID 59203960
2-Propan-2-yl-4-(2,2,2-trifluoroethyl)morpholine
CID 68221815
(3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine
CID 118551806

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine?
The IUPAC name of (3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine (CID 139364406) is (3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine.
What is the SMILES notation for (3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine?
The canonical SMILES for (3S,4R)-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 (3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine?
The InChIKey is HPANMYRHXRGCJR-YUMQZZPRSA-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-/m0/s1.
What are the key properties of (3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine?
(3S,4R)-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 (3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine is sourced from PubChem (CID 139364406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).