3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol

C10H12FNO2 — CID 130052022

IUPAC3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol
SMILESCOc1cc(F)ccc1C1(O)CNC1
InChIInChI=1S/C10H12FNO2/c1-14-9-4-7(11)2-3-8(9)10(13)5-12-6-10/h2-4,12-13H,5-6H2,1H3
InChIKeyDJEBZUGXQLWFDS-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.63
Rot. Bonds2

About 3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol

3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol (PubChem CID 130052022) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol
PubChem CID130052022
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol
SMILESCOc1cc(F)ccc1C1(O)CNC1
InChIInChI=1S/C10H12FNO2/c1-14-9-4-7(11)2-3-8(9)10(13)5-12-6-10/h2-4,12-13H,5-6H2,1H3
InChIKeyDJEBZUGXQLWFDS-UHFFFAOYSA-N
XLogP0.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol?
The IUPAC name of 3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol (CID 130052022) is 3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol is COc1cc(F)ccc1C1(O)CNC1.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol?
The InChIKey is DJEBZUGXQLWFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-14-9-4-7(11)2-3-8(9)10(13)5-12-6-10/h2-4,12-13H,5-6H2,1H3.
What are the key properties of 3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol?
3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol has a molecular weight of 197.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenyl)azetidin-3-ol is sourced from PubChem (CID 130052022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).