[1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol

C11H18F3NO2 — CID 176661039

IUPAC[1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2CC[C@@H](COC(F)(F)F)C2)CC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)17-6-9-1-4-15(5-9)7-10(8-16)2-3-10/h9,16H,1-8H2/t9-/m1/s1
InChIKeyKDQAYSMBAPDDPA-SECBINFHSA-N
MW253.26 g/mol
LogP1.62
Rot. Bonds5

About [1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol

[1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 176661039) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is [1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol
PubChem CID176661039
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name[1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2CC[C@@H](COC(F)(F)F)C2)CC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)17-6-9-1-4-15(5-9)7-10(8-16)2-3-10/h9,16H,1-8H2/t9-/m1/s1
InChIKeyKDQAYSMBAPDDPA-SECBINFHSA-N
XLogP1.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

((3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl)methanol
CID 134249504
[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]methanol
CID 62370649
(1-((3,3-Difluoropyrrolidin-1-YL)methyl)cyclopropyl)methanol
CID 116991627
4-(1,1-Difluoroethoxymethyl)-1-methylpyrrolidin-2-ol
CID 149388665
[1-[[(3R)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 155348589
(1-((3-Fluoropyrrolidin-1-YL)methyl)cyclopropyl)methanol
CID 162341985
[1-[[(3S)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 162341986
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane
CID 166533365
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane
CID 166533706
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;hydrofluoride
CID 169182531
[1-[[3-(Trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite
CID 169254752
[1-[[(3S)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol
CID 169255501

Frequently Asked Questions

What is the IUPAC name of [1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol (CID 176661039) is [1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol is OCC1(CN2CC[C@@H](COC(F)(F)F)C2)CC1.
What is the InChIKey of [1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is KDQAYSMBAPDDPA-SECBINFHSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)17-6-9-1-4-15(5-9)7-10(8-16)2-3-10/h9,16H,1-8H2/t9-/m1/s1.
What are the key properties of [1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol?
[1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 253.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3R)-3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 176661039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).