3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine

C12H14FNO — CID 114520528

IUPAC3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine
SMILESFC1(c2ccc(OC3CC3)cc2)CNC1
InChIInChI=1S/C12H14FNO/c13-12(7-14-8-12)9-1-3-10(4-2-9)15-11-5-6-11/h1-4,11,14H,5-8H2
InChIKeySAJIOXHZBVFLMS-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.00
Rot. Bonds3

About 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine

3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine (PubChem CID 114520528) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine
PubChem CID114520528
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine
SMILESFC1(c2ccc(OC3CC3)cc2)CNC1
InChIInChI=1S/C12H14FNO/c13-12(7-14-8-12)9-1-3-10(4-2-9)15-11-5-6-11/h1-4,11,14H,5-8H2
InChIKeySAJIOXHZBVFLMS-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine?
The IUPAC name of 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine (CID 114520528) is 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine.
What is the SMILES notation for 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine?
The canonical SMILES for 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine is FC1(c2ccc(OC3CC3)cc2)CNC1.
What is the InChIKey of 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine?
The InChIKey is SAJIOXHZBVFLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-12(7-14-8-12)9-1-3-10(4-2-9)15-11-5-6-11/h1-4,11,14H,5-8H2.
What are the key properties of 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine?
3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine has a molecular weight of 207.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine is sourced from PubChem (CID 114520528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).