3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol

C11H13ClFNO — CID 46208107

IUPAC3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol
SMILESCCN1CC(O)(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C11H13ClFNO/c1-2-14-6-11(15,7-14)8-3-9(12)5-10(13)4-8/h3-5,15H,2,6-7H2,1H3
InChIKeyYJVAEBCJEVBOTP-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.00
Rot. Bonds2

About 3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol

3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol (PubChem CID 46208107) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol
PubChem CID46208107
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol
SMILESCCN1CC(O)(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C11H13ClFNO/c1-2-14-6-11(15,7-14)8-3-9(12)5-10(13)4-8/h3-5,15H,2,6-7H2,1H3
InChIKeyYJVAEBCJEVBOTP-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol (CID 46208107) is 3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol is CCN1CC(O)(c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol?
The InChIKey is YJVAEBCJEVBOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-2-14-6-11(15,7-14)8-3-9(12)5-10(13)4-8/h3-5,15H,2,6-7H2,1H3.
What are the key properties of 3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol?
3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol has a molecular weight of 229.68 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenyl)-1-ethylazetidin-3-ol is sourced from PubChem (CID 46208107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).