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

C13H22F3NO2 — CID 170343536

IUPAC(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
SMILESCC(C)OCC1(CN2CC[C@H](OC(F)(F)F)C2)CC1
InChIInChI=1S/C13H22F3NO2/c1-10(2)18-9-12(4-5-12)8-17-6-3-11(7-17)19-13(14,15)16/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyGJHGRQWUMFZFOQ-NSHDSACASA-N
MW281.32 g/mol
LogP2.80
Rot. Bonds6

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

(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine (PubChem CID 170343536) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
PubChem CID170343536
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
SMILESCC(C)OCC1(CN2CC[C@H](OC(F)(F)F)C2)CC1
InChIInChI=1S/C13H22F3NO2/c1-10(2)18-9-12(4-5-12)8-17-6-3-11(7-17)19-13(14,15)16/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyGJHGRQWUMFZFOQ-NSHDSACASA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926000
(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926336
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol
CID 170926422
4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170424249
4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azepane
CID 169289987
(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170926296
1-[1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidin-3-yl]ethanone
CID 178037963
(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926110
6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane
CID 170676624

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine?
The IUPAC name of (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine (CID 170343536) is (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine.
What is the SMILES notation for (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine?
The canonical SMILES for (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine is CC(C)OCC1(CN2CC[C@H](OC(F)(F)F)C2)CC1.
What is the InChIKey of (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine?
The InChIKey is GJHGRQWUMFZFOQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-10(2)18-9-12(4-5-12)8-17-6-3-11(7-17)19-13(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-(trifluoromethoxy)pyrrolidine?
(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine has a molecular weight of 281.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine is sourced from PubChem (CID 170343536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).