3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol

C10H11ClFNO — CID 102617348

IUPAC3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
SMILESOC1(Cc2cc(F)ccc2Cl)CNC1
InChIInChI=1S/C10H11ClFNO/c11-9-2-1-8(12)3-7(9)4-10(14)5-13-6-10/h1-3,13-14H,4-6H2
InChIKeyIBGACKJVUFAJKT-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.36
Rot. Bonds2

About 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol

3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol (PubChem CID 102617348) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
PubChem CID102617348
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
SMILESOC1(Cc2cc(F)ccc2Cl)CNC1
InChIInChI=1S/C10H11ClFNO/c11-9-2-1-8(12)3-7(9)4-10(14)5-13-6-10/h1-3,13-14H,4-6H2
InChIKeyIBGACKJVUFAJKT-UHFFFAOYSA-N
XLogP1.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-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

3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
CID 102617389
3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol
CID 83688912
3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
CID 102621652
3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
CID 102621662
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 102621650
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 102621675
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 102617456
3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine
CID 102616694
1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 83689412
4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
CID 102617544
3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145900

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol (CID 102617348) is 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol is OC1(Cc2cc(F)ccc2Cl)CNC1.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol?
The InChIKey is IBGACKJVUFAJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-9-2-1-8(12)3-7(9)4-10(14)5-13-6-10/h1-3,13-14H,4-6H2.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol?
3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol has a molecular weight of 215.66 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol is sourced from PubChem (CID 102617348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).