[(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol

C8H13F2NO2 — CID 67193160

IUPAC[(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1C1COC1(F)F
InChIInChI=1S/C8H13F2NO2/c9-8(10)7(5-13-8)11-3-1-2-6(11)4-12/h6-7,12H,1-5H2/t6-,7?/m0/s1
InChIKeyKQNWNEDHOKGIKL-PKPIPKONSA-N
MW193.19 g/mol
LogP0.43
Rot. Bonds2

About [(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol

[(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol (PubChem CID 67193160) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is [(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol
PubChem CID67193160
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name[(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1C1COC1(F)F
InChIInChI=1S/C8H13F2NO2/c9-8(10)7(5-13-8)11-3-1-2-6(11)4-12/h6-7,12H,1-5H2/t6-,7?/m0/s1
InChIKeyKQNWNEDHOKGIKL-PKPIPKONSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol (CID 67193160) is [(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1C1COC1(F)F.
What is the InChIKey of [(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol?
The InChIKey is KQNWNEDHOKGIKL-PKPIPKONSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)7(5-13-8)11-3-1-2-6(11)4-12/h6-7,12H,1-5H2/t6-,7?/m0/s1.
What are the key properties of [(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol has a molecular weight of 193.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 67193160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).