(2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone

C11H10F2O3 — CID 62799546

IUPAC(2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone
SMILESO=C(c1ccc(F)cc1F)C1COCCO1
InChIInChI=1S/C11H10F2O3/c12-7-1-2-8(9(13)5-7)11(14)10-6-15-3-4-16-10/h1-2,5,10H,3-4,6H2
InChIKeyPZWDRDMLIBJWEW-UHFFFAOYSA-N
MW228.19 g/mol
LogP1.56
Rot. Bonds2

About (2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone

(2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone (PubChem CID 62799546) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone
PubChem CID62799546
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name(2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone
SMILESO=C(c1ccc(F)cc1F)C1COCCO1
InChIInChI=1S/C11H10F2O3/c12-7-1-2-8(9(13)5-7)11(14)10-6-15-3-4-16-10/h1-2,5,10H,3-4,6H2
InChIKeyPZWDRDMLIBJWEW-UHFFFAOYSA-N
XLogP1.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79669007
2-(1,4-dioxane-2-carbonylamino)-5-fluorobenzoic acid
CID 43359644
1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone
CID 65350786
(2,4-difluorophenyl)-(thietan-3-yl)methanone
CID 164657486
1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone
CID 130964889
N-(2-cyano-4-fluorophenyl)-1,4-dioxane-2-carboxamide
CID 79954692
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62799914
(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 64728885
1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one
CID 43796403
1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone
CID 62799734
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,4-dioxane-2-carboxamide
CID 47178402

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone (CID 62799546) is (2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone is O=C(c1ccc(F)cc1F)C1COCCO1.
What is the InChIKey of (2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone?
The InChIKey is PZWDRDMLIBJWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-7-1-2-8(9(13)5-7)11(14)10-6-15-3-4-16-10/h1-2,5,10H,3-4,6H2.
What are the key properties of (2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone?
(2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone has a molecular weight of 228.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 62799546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).