3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine

C14H20FNO — CID 79459737

IUPAC3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCC1(c2ccccc2F)CNC1
InChIInChI=1S/C14H20FNO/c1-11(2)17-8-7-14(9-16-10-14)12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyFCRXMFPQJTVTPS-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.48
Rot. Bonds5

About 3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine

3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine (PubChem CID 79459737) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine
PubChem CID79459737
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCC1(c2ccccc2F)CNC1
InChIInChI=1S/C14H20FNO/c1-11(2)17-8-7-14(9-16-10-14)12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyFCRXMFPQJTVTPS-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine?
The IUPAC name of 3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine (CID 79459737) is 3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine?
The canonical SMILES for 3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine is CC(C)OCCC1(c2ccccc2F)CNC1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine?
The InChIKey is FCRXMFPQJTVTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(2)17-8-7-14(9-16-10-14)12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine?
3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine has a molecular weight of 237.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(2-propan-2-yloxyethyl)azetidine is sourced from PubChem (CID 79459737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).