3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol

C13H17ClFNO — CID 46208148

IUPAC3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol
SMILESCC(C)CN1CC(O)(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C13H17ClFNO/c1-9(2)6-16-7-13(17,8-16)10-3-11(14)5-12(15)4-10/h3-5,9,17H,6-8H2,1-2H3
InChIKeyJTVDPRJDTFUWLX-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.64
Rot. Bonds3

About 3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol

3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol (PubChem CID 46208148) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol
PubChem CID46208148
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol
SMILESCC(C)CN1CC(O)(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C13H17ClFNO/c1-9(2)6-16-7-13(17,8-16)10-3-11(14)5-12(15)4-10/h3-5,9,17H,6-8H2,1-2H3
InChIKeyJTVDPRJDTFUWLX-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.64
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-(2-methylpropyl)azetidin-3-ol?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol (CID 46208148) is 3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol is CC(C)CN1CC(O)(c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol?
The InChIKey is JTVDPRJDTFUWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-9(2)6-16-7-13(17,8-16)10-3-11(14)5-12(15)4-10/h3-5,9,17H,6-8H2,1-2H3.
What are the key properties of 3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol?
3-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)azetidin-3-ol has a molecular weight of 257.74 g/mol, XLogP of 2.64, 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-(2-methylpropyl)azetidin-3-ol is sourced from PubChem (CID 46208148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).