(3,3-difluoroazetidin-2-yl)methanol

C4H7F2NO — CID 126970511

IUPAC(3,3-difluoroazetidin-2-yl)methanol
SMILESOCC1NCC1(F)F
InChIInChI=1S/C4H7F2NO/c5-4(6)2-7-3(4)1-8/h3,7-8H,1-2H2
InChIKeyPLFWXPRJKLIWTC-UHFFFAOYSA-N
MW123.10 g/mol
LogP-0.41
Rot. Bonds1

About (3,3-difluoroazetidin-2-yl)methanol

(3,3-difluoroazetidin-2-yl)methanol (PubChem CID 126970511) has the molecular formula C4H7F2NO and a molecular weight of 123.10 g/mol. Its IUPAC name is (3,3-difluoroazetidin-2-yl)methanol.

Molecular Properties

Compound Name(3,3-difluoroazetidin-2-yl)methanol
PubChem CID126970511
Molecular FormulaC4H7F2NO
Molecular Weight123.10 g/mol
Exact Mass123.05
IUPAC Name(3,3-difluoroazetidin-2-yl)methanol
SMILESOCC1NCC1(F)F
InChIInChI=1S/C4H7F2NO/c5-4(6)2-7-3(4)1-8/h3,7-8H,1-2H2
InChIKeyPLFWXPRJKLIWTC-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 (3,3-difluoroazetidin-2-yl)methanol?
The IUPAC name of (3,3-difluoroazetidin-2-yl)methanol (CID 126970511) is (3,3-difluoroazetidin-2-yl)methanol.
What is the SMILES notation for (3,3-difluoroazetidin-2-yl)methanol?
The canonical SMILES for (3,3-difluoroazetidin-2-yl)methanol is OCC1NCC1(F)F.
What is the InChIKey of (3,3-difluoroazetidin-2-yl)methanol?
The InChIKey is PLFWXPRJKLIWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO/c5-4(6)2-7-3(4)1-8/h3,7-8H,1-2H2.
What are the key properties of (3,3-difluoroazetidin-2-yl)methanol?
(3,3-difluoroazetidin-2-yl)methanol 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 (3,3-difluoroazetidin-2-yl)methanol is sourced from PubChem (CID 126970511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).