[3-(difluoromethyl)azetidin-3-yl]methanol

C5H9F2NO — CID 135395278

IUPAC[3-(difluoromethyl)azetidin-3-yl]methanol
SMILESOCC1(C(F)F)CNC1
InChIInChI=1S/C5H9F2NO/c6-4(7)5(3-9)1-8-2-5/h4,8-9H,1-3H2
InChIKeyZDJAWZWEDKDHIE-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.17
Rot. Bonds2

About [3-(difluoromethyl)azetidin-3-yl]methanol

[3-(difluoromethyl)azetidin-3-yl]methanol (PubChem CID 135395278) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is [3-(difluoromethyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)azetidin-3-yl]methanol
PubChem CID135395278
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name[3-(difluoromethyl)azetidin-3-yl]methanol
SMILESOCC1(C(F)F)CNC1
InChIInChI=1S/C5H9F2NO/c6-4(7)5(3-9)1-8-2-5/h4,8-9H,1-3H2
InChIKeyZDJAWZWEDKDHIE-UHFFFAOYSA-N
XLogP-0.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.17
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-yl]methanol?
The IUPAC name of [3-(difluoromethyl)azetidin-3-yl]methanol (CID 135395278) is [3-(difluoromethyl)azetidin-3-yl]methanol.
What is the SMILES notation for [3-(difluoromethyl)azetidin-3-yl]methanol?
The canonical SMILES for [3-(difluoromethyl)azetidin-3-yl]methanol is OCC1(C(F)F)CNC1.
What is the InChIKey of [3-(difluoromethyl)azetidin-3-yl]methanol?
The InChIKey is ZDJAWZWEDKDHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-4(7)5(3-9)1-8-2-5/h4,8-9H,1-3H2.
What are the key properties of [3-(difluoromethyl)azetidin-3-yl]methanol?
[3-(difluoromethyl)azetidin-3-yl]methanol has a molecular weight of 137.13 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)azetidin-3-yl]methanol is sourced from PubChem (CID 135395278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).