1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one

C14H16F3NO3 — CID 146092256

IUPAC1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one
SMILESCC(OCc1ccc(F)cc1)C(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C14H16F3NO3/c1-9(20-8-10-2-4-11(15)5-3-10)13(19)18-6-12(7-18)21-14(16)17/h2-5,9,12,14H,6-8H2,1H3
InChIKeyPGLIPJNFRYUZEV-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.18
Rot. Bonds6

About 1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one

1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one (PubChem CID 146092256) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one
PubChem CID146092256
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one
SMILESCC(OCc1ccc(F)cc1)C(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C14H16F3NO3/c1-9(20-8-10-2-4-11(15)5-3-10)13(19)18-6-12(7-18)21-14(16)17/h2-5,9,12,14H,6-8H2,1H3
InChIKeyPGLIPJNFRYUZEV-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one
CID 126438416
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one
CID 53034675
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone
CID 53034640
2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one
CID 119073145
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43427969
1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43428067
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
(2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one
CID 99801778
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
CID 81208321
cyclopentyl-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46153645

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one?
The IUPAC name of 1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one (CID 146092256) is 1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one.
What is the SMILES notation for 1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one?
The canonical SMILES for 1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one is CC(OCc1ccc(F)cc1)C(=O)N1CC(OC(F)F)C1.
What is the InChIKey of 1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one?
The InChIKey is PGLIPJNFRYUZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(20-8-10-2-4-11(15)5-3-10)13(19)18-6-12(7-18)21-14(16)17/h2-5,9,12,14H,6-8H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one?
1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one has a molecular weight of 303.28 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one is sourced from PubChem (CID 146092256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).