2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine

C13H18FN — CID 115058741

IUPAC2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine
SMILESCC(C)C1(Cc2ccccc2F)CCN1
InChIInChI=1S/C13H18FN/c1-10(2)13(7-8-15-13)9-11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyMNFREFQFFZLYSZ-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.76
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine

2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine (PubChem CID 115058741) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine
PubChem CID115058741
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine
SMILESCC(C)C1(Cc2ccccc2F)CCN1
InChIInChI=1S/C13H18FN/c1-10(2)13(7-8-15-13)9-11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyMNFREFQFFZLYSZ-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine (CID 115058741) is 2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine is CC(C)C1(Cc2ccccc2F)CCN1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine?
The InChIKey is MNFREFQFFZLYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10(2)13(7-8-15-13)9-11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine?
2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine has a molecular weight of 207.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine is sourced from PubChem (CID 115058741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).