3-(difluoromethyl)azetidin-3-ol

C4H7F2NO — CID 71756928

IUPAC3-(difluoromethyl)azetidin-3-ol
SMILESOC1(C(F)F)CNC1
InChIInChI=1S/C4H7F2NO/c5-3(6)4(8)1-7-2-4/h3,7-8H,1-2H2
InChIKeyNSDKIAODRQJVBC-UHFFFAOYSA-N
MW123.10 g/mol
LogP-0.41
Rot. Bonds1

About 3-(difluoromethyl)azetidin-3-ol

3-(difluoromethyl)azetidin-3-ol (PubChem CID 71756928) has the molecular formula C4H7F2NO and a molecular weight of 123.10 g/mol. Its IUPAC name is 3-(difluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(difluoromethyl)azetidin-3-ol
PubChem CID71756928
Molecular FormulaC4H7F2NO
Molecular Weight123.10 g/mol
Exact Mass123.05
IUPAC Name3-(difluoromethyl)azetidin-3-ol
SMILESOC1(C(F)F)CNC1
InChIInChI=1S/C4H7F2NO/c5-3(6)4(8)1-7-2-4/h3,7-8H,1-2H2
InChIKeyNSDKIAODRQJVBC-UHFFFAOYSA-N
XLogP-0.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.10
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)azetidin-3-ol?
The IUPAC name of 3-(difluoromethyl)azetidin-3-ol (CID 71756928) is 3-(difluoromethyl)azetidin-3-ol.
What is the SMILES notation for 3-(difluoromethyl)azetidin-3-ol?
The canonical SMILES for 3-(difluoromethyl)azetidin-3-ol is OC1(C(F)F)CNC1.
What is the InChIKey of 3-(difluoromethyl)azetidin-3-ol?
The InChIKey is NSDKIAODRQJVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO/c5-3(6)4(8)1-7-2-4/h3,7-8H,1-2H2.
What are the key properties of 3-(difluoromethyl)azetidin-3-ol?
3-(difluoromethyl)azetidin-3-ol has a molecular weight of 123.10 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)azetidin-3-ol is sourced from PubChem (CID 71756928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).