1-(3,4-difluorophenyl)-2-hexoxypropan-1-one

C15H20F2O2 — CID 43800697

IUPAC1-(3,4-difluorophenyl)-2-hexoxypropan-1-one
SMILESCCCCCCOC(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2O2/c1-3-4-5-6-9-19-11(2)15(18)12-7-8-13(16)14(17)10-12/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyZWXDLQBEOMCKHG-UHFFFAOYSA-N
MW270.32 g/mol
LogP4.13
Rot. Bonds8

About 1-(3,4-difluorophenyl)-2-hexoxypropan-1-one

1-(3,4-difluorophenyl)-2-hexoxypropan-1-one (PubChem CID 43800697) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-hexoxypropan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-hexoxypropan-1-one
PubChem CID43800697
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name1-(3,4-difluorophenyl)-2-hexoxypropan-1-one
SMILESCCCCCCOC(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2O2/c1-3-4-5-6-9-19-11(2)15(18)12-7-8-13(16)14(17)10-12/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyZWXDLQBEOMCKHG-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
CID 115942341
tetradecyl 3,4-difluorobenzoate
CID 91717371
2-heptoxy-1-(4-methoxyphenyl)propan-1-one
CID 43800113
1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 62030770
octyl 2-[(3,4-difluorobenzoyl)amino]-3-methylbutanoate
CID 91734496
1-(3,4-difluorophenyl)heptan-1-one
CID 62622808
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708727
2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one
CID 43800190
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one
CID 103489321
1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798954
2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide
CID 62053086

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-hexoxypropan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-hexoxypropan-1-one (CID 43800697) is 1-(3,4-difluorophenyl)-2-hexoxypropan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-hexoxypropan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-hexoxypropan-1-one is CCCCCCOC(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-hexoxypropan-1-one?
The InChIKey is ZWXDLQBEOMCKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-3-4-5-6-9-19-11(2)15(18)12-7-8-13(16)14(17)10-12/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-hexoxypropan-1-one?
1-(3,4-difluorophenyl)-2-hexoxypropan-1-one has a molecular weight of 270.32 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-hexoxypropan-1-one is sourced from PubChem (CID 43800697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).