[(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol

C6H11F2NO — CID 135080181

IUPAC[(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol
SMILESOC[C@H]1NC[C@@H]1CC(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)1-4-2-9-5(4)3-10/h4-6,9-10H,1-3H2/t4-,5+/m0/s1
InChIKeyLGGHZTNSJPHXAR-CRCLSJGQSA-N
MW151.16 g/mol
LogP0.22
Rot. Bonds3

About [(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol

[(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol (PubChem CID 135080181) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is [(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol
PubChem CID135080181
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name[(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol
SMILESOC[C@H]1NC[C@@H]1CC(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)1-4-2-9-5(4)3-10/h4-6,9-10H,1-3H2/t4-,5+/m0/s1
InChIKeyLGGHZTNSJPHXAR-CRCLSJGQSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol (CID 135080181) is [(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol is OC[C@H]1NC[C@@H]1CC(F)F.
What is the InChIKey of [(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol?
The InChIKey is LGGHZTNSJPHXAR-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)1-4-2-9-5(4)3-10/h4-6,9-10H,1-3H2/t4-,5+/m0/s1.
What are the key properties of [(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol?
[(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol has a molecular weight of 151.16 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-(2,2-difluoroethyl)azetidin-2-yl]methanol is sourced from PubChem (CID 135080181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).