3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine

C13H15F2N — CID 116992338

IUPAC3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine
SMILESFC(F)(c1ccc(C2CNC2)cc1)C1CC1
InChIInChI=1S/C13H15F2N/c14-13(15,12-5-6-12)11-3-1-9(2-4-11)10-7-16-8-10/h1-4,10,12,16H,5-8H2
InChIKeyFODYJNGASWUBFC-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.88
Rot. Bonds3

About 3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine

3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine (PubChem CID 116992338) has the molecular formula C13H15F2N and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine.

Molecular Properties

Compound Name3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine
PubChem CID116992338
Molecular FormulaC13H15F2N
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine
SMILESFC(F)(c1ccc(C2CNC2)cc1)C1CC1
InChIInChI=1S/C13H15F2N/c14-13(15,12-5-6-12)11-3-1-9(2-4-11)10-7-16-8-10/h1-4,10,12,16H,5-8H2
InChIKeyFODYJNGASWUBFC-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine?
The IUPAC name of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine (CID 116992338) is 3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine.
What is the SMILES notation for 3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine?
The canonical SMILES for 3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine is FC(F)(c1ccc(C2CNC2)cc1)C1CC1.
What is the InChIKey of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine?
The InChIKey is FODYJNGASWUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N/c14-13(15,12-5-6-12)11-3-1-9(2-4-11)10-7-16-8-10/h1-4,10,12,16H,5-8H2.
What are the key properties of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine?
3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine has a molecular weight of 223.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine is sourced from PubChem (CID 116992338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).