4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine

C14H18F2N2O — CID 77080200

IUPAC4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine
SMILESFc1ccc(CN2CC(N3CCOCC3)C2)c(F)c1
InChIInChI=1S/C14H18F2N2O/c15-12-2-1-11(14(16)7-12)8-17-9-13(10-17)18-3-5-19-6-4-18/h1-2,7,13H,3-6,8-10H2
InChIKeyWZVUPLZLVDRVCE-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.48
Rot. Bonds3

About 4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine

4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine (PubChem CID 77080200) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine
PubChem CID77080200
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine
SMILESFc1ccc(CN2CC(N3CCOCC3)C2)c(F)c1
InChIInChI=1S/C14H18F2N2O/c15-12-2-1-11(14(16)7-12)8-17-9-13(10-17)18-3-5-19-6-4-18/h1-2,7,13H,3-6,8-10H2
InChIKeyWZVUPLZLVDRVCE-UHFFFAOYSA-N
XLogP1.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine (CID 77080200) is 4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine is Fc1ccc(CN2CC(N3CCOCC3)C2)c(F)c1.
What is the InChIKey of 4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine?
The InChIKey is WZVUPLZLVDRVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-12-2-1-11(14(16)7-12)8-17-9-13(10-17)18-3-5-19-6-4-18/h1-2,7,13H,3-6,8-10H2.
What are the key properties of 4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine?
4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine has a molecular weight of 268.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]morpholine is sourced from PubChem (CID 77080200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).