3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol

C12H15ClFNO — CID 46208014

IUPAC3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol
SMILESCC(C)N1CC(O)(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C12H15ClFNO/c1-8(2)15-6-12(16,7-15)9-3-10(13)5-11(14)4-9/h3-5,8,16H,6-7H2,1-2H3
InChIKeyOSWHBIUEMWOISM-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.39
Rot. Bonds2

About 3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol

3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol (PubChem CID 46208014) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol
PubChem CID46208014
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol
SMILESCC(C)N1CC(O)(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C12H15ClFNO/c1-8(2)15-6-12(16,7-15)9-3-10(13)5-11(14)4-9/h3-5,8,16H,6-7H2,1-2H3
InChIKeyOSWHBIUEMWOISM-UHFFFAOYSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-propan-2-ylazetidin-3-ol?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol (CID 46208014) is 3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol is CC(C)N1CC(O)(c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol?
The InChIKey is OSWHBIUEMWOISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-8(2)15-6-12(16,7-15)9-3-10(13)5-11(14)4-9/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of 3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol?
3-(3-chloro-5-fluorophenyl)-1-propan-2-ylazetidin-3-ol has a molecular weight of 243.71 g/mol, XLogP of 2.39, 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-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 46208014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).