1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol

C12H15ClFNO — CID 103049527

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C12H15ClFNO/c1-2-12(16)7-15(8-12)6-9-5-10(13)3-4-11(9)14/h3-5,16H,2,6-8H2,1H3
InChIKeyPRGBMDUSVLABMN-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.44
Rot. Bonds3

About 1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol

1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol (PubChem CID 103049527) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol
PubChem CID103049527
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C12H15ClFNO/c1-2-12(16)7-15(8-12)6-9-5-10(13)3-4-11(9)14/h3-5,16H,2,6-8H2,1H3
InChIKeyPRGBMDUSVLABMN-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol (CID 103049527) is 1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol is CCC1(O)CN(Cc2cc(Cl)ccc2F)C1.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol?
The InChIKey is PRGBMDUSVLABMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-12(16)7-15(8-12)6-9-5-10(13)3-4-11(9)14/h3-5,16H,2,6-8H2,1H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol?
1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol has a molecular weight of 243.71 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylazetidin-3-ol is sourced from PubChem (CID 103049527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).