2-[azetidin-3-yl(difluoro)methyl]phenol

C10H11F2NO — CID 105451962

IUPAC2-[azetidin-3-yl(difluoro)methyl]phenol
SMILESOc1ccccc1C(F)(F)C1CNC1
InChIInChI=1S/C10H11F2NO/c11-10(12,7-5-13-6-7)8-3-1-2-4-9(8)14/h1-4,7,13-14H,5-6H2
InChIKeyANEWXZGVJCJUFX-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.70
Rot. Bonds2

About 2-[azetidin-3-yl(difluoro)methyl]phenol

2-[azetidin-3-yl(difluoro)methyl]phenol (PubChem CID 105451962) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-[azetidin-3-yl(difluoro)methyl]phenol.

Molecular Properties

Compound Name2-[azetidin-3-yl(difluoro)methyl]phenol
PubChem CID105451962
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-[azetidin-3-yl(difluoro)methyl]phenol
SMILESOc1ccccc1C(F)(F)C1CNC1
InChIInChI=1S/C10H11F2NO/c11-10(12,7-5-13-6-7)8-3-1-2-4-9(8)14/h1-4,7,13-14H,5-6H2
InChIKeyANEWXZGVJCJUFX-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(difluoro)methyl]phenol?
The IUPAC name of 2-[azetidin-3-yl(difluoro)methyl]phenol (CID 105451962) is 2-[azetidin-3-yl(difluoro)methyl]phenol.
What is the SMILES notation for 2-[azetidin-3-yl(difluoro)methyl]phenol?
The canonical SMILES for 2-[azetidin-3-yl(difluoro)methyl]phenol is Oc1ccccc1C(F)(F)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(difluoro)methyl]phenol?
The InChIKey is ANEWXZGVJCJUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12,7-5-13-6-7)8-3-1-2-4-9(8)14/h1-4,7,13-14H,5-6H2.
What are the key properties of 2-[azetidin-3-yl(difluoro)methyl]phenol?
2-[azetidin-3-yl(difluoro)methyl]phenol has a molecular weight of 199.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(difluoro)methyl]phenol is sourced from PubChem (CID 105451962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).