[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol

C8H13F2NO2 — CID 67126499

IUPAC[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CC(F)(F)CN1C1COC1
InChIInChI=1S/C8H13F2NO2/c9-8(10)1-6(2-12)11(5-8)7-3-13-4-7/h6-7,12H,1-5H2
InChIKeyAPVFMXHGUPMANM-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.09
Rot. Bonds2

About [4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol

[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol (PubChem CID 67126499) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is [4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol
PubChem CID67126499
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CC(F)(F)CN1C1COC1
InChIInChI=1S/C8H13F2NO2/c9-8(10)1-6(2-12)11(5-8)7-3-13-4-7/h6-7,12H,1-5H2
InChIKeyAPVFMXHGUPMANM-UHFFFAOYSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol (CID 67126499) is [4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol is OCC1CC(F)(F)CN1C1COC1.
What is the InChIKey of [4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol?
The InChIKey is APVFMXHGUPMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)1-6(2-12)11(5-8)7-3-13-4-7/h6-7,12H,1-5H2.
What are the key properties of [4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol?
[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol has a molecular weight of 193.19 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 67126499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).