3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine

C14H18FNO — CID 79460683

IUPAC3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine
SMILESFc1cccc(C2(CC3CCCO3)CNC2)c1
InChIInChI=1S/C14H18FNO/c15-12-4-1-3-11(7-12)14(9-16-10-14)8-13-5-2-6-17-13/h1,3-4,7,13,16H,2,5-6,8-10H2
InChIKeyUFFGKVRTJKCBAI-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.24
Rot. Bonds3

About 3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine

3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine (PubChem CID 79460683) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine
PubChem CID79460683
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine
SMILESFc1cccc(C2(CC3CCCO3)CNC2)c1
InChIInChI=1S/C14H18FNO/c15-12-4-1-3-11(7-12)14(9-16-10-14)8-13-5-2-6-17-13/h1,3-4,7,13,16H,2,5-6,8-10H2
InChIKeyUFFGKVRTJKCBAI-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine?
The IUPAC name of 3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine (CID 79460683) is 3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine?
The canonical SMILES for 3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine is Fc1cccc(C2(CC3CCCO3)CNC2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine?
The InChIKey is UFFGKVRTJKCBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-12-4-1-3-11(7-12)14(9-16-10-14)8-13-5-2-6-17-13/h1,3-4,7,13,16H,2,5-6,8-10H2.
What are the key properties of 3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine?
3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine has a molecular weight of 235.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine is sourced from PubChem (CID 79460683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).