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

C11H17F4NO2 — CID 169254752

IUPAC[1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite
SMILESFOCC1(CN2CCC(COC(F)(F)F)C2)CC1
InChIInChI=1S/C11H17F4NO2/c12-11(13,14)17-6-9-1-4-16(5-9)7-10(2-3-10)8-18-15/h9H,1-8H2
InChIKeyDQCRQACARCHIDZ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.53
Rot. Bonds6

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

[1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite (PubChem CID 169254752) has the molecular formula C11H17F4NO2 and a molecular weight of 271.25 g/mol. Its IUPAC name is [1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite.

Molecular Properties

Compound Name[1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite
PubChem CID169254752
Molecular FormulaC11H17F4NO2
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC Name[1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite
SMILESFOCC1(CN2CCC(COC(F)(F)F)C2)CC1
InChIInChI=1S/C11H17F4NO2/c12-11(13,14)17-6-9-1-4-16(5-9)7-10(2-3-10)8-18-15/h9H,1-8H2
InChIKeyDQCRQACARCHIDZ-UHFFFAOYSA-N
XLogP2.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite?
The IUPAC name of [1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite (CID 169254752) is [1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite.
What is the SMILES notation for [1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite?
The canonical SMILES for [1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite is FOCC1(CN2CCC(COC(F)(F)F)C2)CC1.
What is the InChIKey of [1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite?
The InChIKey is DQCRQACARCHIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO2/c12-11(13,14)17-6-9-1-4-16(5-9)7-10(2-3-10)8-18-15/h9H,1-8H2.
What are the key properties of [1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite?
[1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite has a molecular weight of 271.25 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(trifluoromethoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methyl hypofluorite is sourced from PubChem (CID 169254752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).