1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone

C14H16F2O3 — CID 114969252

IUPAC1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)c1ccccc1OC(F)F
InChIInChI=1S/C14H16F2O3/c15-14(16)19-13-4-2-1-3-11(13)12(17)9-10-5-7-18-8-6-10/h1-4,10,14H,5-9H2
InChIKeyZHUUMEYZYICFPQ-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.29
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone

1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone (PubChem CID 114969252) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone
PubChem CID114969252
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)c1ccccc1OC(F)F
InChIInChI=1S/C14H16F2O3/c15-14(16)19-13-4-2-1-3-11(13)12(17)9-10-5-7-18-8-6-10/h1-4,10,14H,5-9H2
InChIKeyZHUUMEYZYICFPQ-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone
CID 116685700
3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
CID 175668326
1-(3-bromo-2-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 107957108
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
[1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethyl]hydrazine
CID 105298760
2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 114970289
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 106790346
1-[2-(difluoromethoxy)phenyl]-4-methylpentan-1-one
CID 114966814
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
CID 105092072
N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide
CID 86985910

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone (CID 114969252) is 1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone?
The InChIKey is ZHUUMEYZYICFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c15-14(16)19-13-4-2-1-3-11(13)12(17)9-10-5-7-18-8-6-10/h1-4,10,14H,5-9H2.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone?
1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone has a molecular weight of 270.27 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 114969252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).