3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol

C11H14FNO — CID 83818582

IUPAC3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol
SMILESCN1CC(O)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO/c1-13-7-11(14,8-13)6-9-2-4-10(12)5-3-9/h2-5,14H,6-8H2,1H3
InChIKeyWRHMTMYSQBCWPT-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.04
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol

3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol (PubChem CID 83818582) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol
PubChem CID83818582
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol
SMILESCN1CC(O)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO/c1-13-7-11(14,8-13)6-9-2-4-10(12)5-3-9/h2-5,14H,6-8H2,1H3
InChIKeyWRHMTMYSQBCWPT-UHFFFAOYSA-N
XLogP1.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol
CID 83823334
7-[(4-fluorophenyl)methyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959295
4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 60895688
1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol
CID 79333953
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 54595081
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674
[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126818993
6-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331044
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306
2-fluoro-1-[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 167941877
1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone
CID 131961692
(3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one
CID 139196663

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol (CID 83818582) is 3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol is CN1CC(O)(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol?
The InChIKey is WRHMTMYSQBCWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-13-7-11(14,8-13)6-9-2-4-10(12)5-3-9/h2-5,14H,6-8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol?
3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol has a molecular weight of 195.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol is sourced from PubChem (CID 83818582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).