(3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine

C12H21F2NO — CID 170926107

IUPAC(3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC(C)OCC1(CN2C[C@H](F)[C@@H](F)C2)CC1
InChIInChI=1S/C12H21F2NO/c1-9(2)16-8-12(3-4-12)7-15-5-10(13)11(14)6-15/h9-11H,3-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyXPRAZRGMISPZHQ-QWRGUYRKSA-N
MW233.30 g/mol
LogP2.18
Rot. Bonds5

About (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine

(3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 170926107) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID170926107
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name(3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC(C)OCC1(CN2C[C@H](F)[C@@H](F)C2)CC1
InChIInChI=1S/C12H21F2NO/c1-9(2)16-8-12(3-4-12)7-15-5-10(13)11(14)6-15/h9-11H,3-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyXPRAZRGMISPZHQ-QWRGUYRKSA-N
XLogP2.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine 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

3-Fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 122547217
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine
CID 130418410
1-[(1R)-1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine
CID 130418419
1-[1,2-Difluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-2-(trifluoromethyl)butyl]pyrrolidine;ethane
CID 145366187
(3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine
CID 148708034
3-Fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine
CID 155484884
3,3-Difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794157
(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794158
3,3-Difluoro-1-[[1-(2-methylbutan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 156061281
3,3-Difluoro-1-[1-(2-propan-2-yloxyethyl)cyclopropyl]pyrrolidine
CID 156062288
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 158958033
3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (CID 170926107) is (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is CC(C)OCC1(CN2C[C@H](F)[C@@H](F)C2)CC1.
What is the InChIKey of (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is XPRAZRGMISPZHQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-9(2)16-8-12(3-4-12)7-15-5-10(13)11(14)6-15/h9-11H,3-8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
(3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 233.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 170926107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).