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

C11H13ClFNO — CID 107886027

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C11H13ClFNO/c1-11(15)6-14(7-11)5-8-2-3-9(12)10(13)4-8/h2-4,15H,5-7H2,1H3
InChIKeyABVYZXSTRJSBTL-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.05
Rot. Bonds2

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

1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol (PubChem CID 107886027) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol
PubChem CID107886027
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C11H13ClFNO/c1-11(15)6-14(7-11)5-8-2-3-9(12)10(13)4-8/h2-4,15H,5-7H2,1H3
InChIKeyABVYZXSTRJSBTL-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 103887242
(1R,5R)-3-[(4-chloro-3-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-amine
CID 98815737
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
1-[[4-[3-(2,6-dichlorophenyl)azetidin-1-yl]-3-fluorophenyl]methyl]-3-methylazetidin-3-ol;formic acid
CID 175982107
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
1-[[4-[2-(2,6-difluorophenyl)ethynyl]phenyl]methyl]-3-methylazetidin-3-ol
CID 170736513
8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 113345091
1-[(4-chloro-3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65064671
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperidine
CID 107887652
1-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 107887383
1-[(4-chloro-3-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 107888674

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol (CID 107886027) is 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol is CC1(O)CN(Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol?
The InChIKey is ABVYZXSTRJSBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-11(15)6-14(7-11)5-8-2-3-9(12)10(13)4-8/h2-4,15H,5-7H2,1H3.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol?
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol has a molecular weight of 229.68 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 107886027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).