(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine

C13H22F3NO — CID 169254973

IUPAC(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)OCC1(CN2CC[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C13H22F3NO/c1-10(2)18-9-12(4-5-12)8-17-6-3-11(7-17)13(14,15)16/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyVOCIAWGVBCLOAV-NSHDSACASA-N
MW265.32 g/mol
LogP3.08
Rot. Bonds5

About (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine

(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine (PubChem CID 169254973) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
PubChem CID169254973
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)OCC1(CN2CC[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C13H22F3NO/c1-10(2)18-9-12(4-5-12)8-17-6-3-11(7-17)13(14,15)16/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyVOCIAWGVBCLOAV-NSHDSACASA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine
CID 139364337
(3S,4R)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine
CID 139364406
N-[difluoro(oxolan-3-yl)methyl]-N-ethylethanamine
CID 140159606
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
3,3-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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine (CID 169254973) is (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine is CC(C)OCC1(CN2CC[C@H](C(F)(F)F)C2)CC1.
What is the InChIKey of (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
The InChIKey is VOCIAWGVBCLOAV-NSHDSACASA-N. The full InChI is InChI=1S/C13H22F3NO/c1-10(2)18-9-12(4-5-12)8-17-6-3-11(7-17)13(14,15)16/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine?
(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine has a molecular weight of 265.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 169254973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).