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

C12H15ClFNO — CID 46207881

IUPAC3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol
SMILESCCCN1CC(O)(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C12H15ClFNO/c1-2-3-15-7-12(16,8-15)9-4-10(13)6-11(14)5-9/h4-6,16H,2-3,7-8H2,1H3
InChIKeyJVAIQYWDLWAPMH-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.39
Rot. Bonds3

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

3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol (PubChem CID 46207881) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol
PubChem CID46207881
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol
SMILESCCCN1CC(O)(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C12H15ClFNO/c1-2-3-15-7-12(16,8-15)9-4-10(13)6-11(14)5-9/h4-6,16H,2-3,7-8H2,1H3
InChIKeyJVAIQYWDLWAPMH-UHFFFAOYSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.39
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-propylazetidin-3-ol?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol (CID 46207881) is 3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol is CCCN1CC(O)(c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol?
The InChIKey is JVAIQYWDLWAPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-3-15-7-12(16,8-15)9-4-10(13)6-11(14)5-9/h4-6,16H,2-3,7-8H2,1H3.
What are the key properties of 3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol?
3-(3-chloro-5-fluorophenyl)-1-propylazetidin-3-ol has a molecular weight of 243.71 g/mol, XLogP of 2.39, 3 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-propylazetidin-3-ol is sourced from PubChem (CID 46207881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).