[(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol

C8H13F2NO — CID 172588105

IUPAC[(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol
SMILESOC[C@@]1(CN2CCC2)CC1(F)F
InChIInChI=1S/C8H13F2NO/c9-8(10)4-7(8,6-12)5-11-2-1-3-11/h12H,1-6H2/t7-/m0/s1
InChIKeyAERRJLZTILNSLU-ZETCQYMHSA-N
MW177.19 g/mol
LogP0.71
Rot. Bonds3

About [(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol

[(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol (PubChem CID 172588105) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is [(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol.

Molecular Properties

Compound Name[(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol
PubChem CID172588105
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name[(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol
SMILESOC[C@@]1(CN2CCC2)CC1(F)F
InChIInChI=1S/C8H13F2NO/c9-8(10)4-7(8,6-12)5-11-2-1-3-11/h12H,1-6H2/t7-/m0/s1
InChIKeyAERRJLZTILNSLU-ZETCQYMHSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol?
The IUPAC name of [(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol (CID 172588105) is [(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol.
What is the SMILES notation for [(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol?
The canonical SMILES for [(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol is OC[C@@]1(CN2CCC2)CC1(F)F.
What is the InChIKey of [(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol?
The InChIKey is AERRJLZTILNSLU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)4-7(8,6-12)5-11-2-1-3-11/h12H,1-6H2/t7-/m0/s1.
What are the key properties of [(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol?
[(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol has a molecular weight of 177.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(azetidin-1-ylmethyl)-2,2-difluorocyclopropyl]methanol is sourced from PubChem (CID 172588105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).