1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one

C14H18F2O3 — CID 103489321

IUPAC1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one
SMILESCCOCC(C)OC(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2O3/c1-4-18-8-9(2)19-10(3)14(17)11-5-6-12(15)13(16)7-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyXKYBFCMBKWXQTP-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.98
Rot. Bonds7

About 1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one

1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one (PubChem CID 103489321) has the molecular formula C14H18F2O3 and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one
PubChem CID103489321
Molecular FormulaC14H18F2O3
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one
SMILESCCOCC(C)OC(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2O3/c1-4-18-8-9(2)19-10(3)14(17)11-5-6-12(15)13(16)7-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyXKYBFCMBKWXQTP-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103486661
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708727
1-(3,4-difluorophenyl)-2-hexoxypropan-1-one
CID 43800697
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
1-[4-(1-ethoxypropan-2-yloxy)-3-fluorophenyl]ethanone
CID 103488725
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
2-butan-2-ylsulfinyl-1-(3,4-difluorophenyl)propan-1-one
CID 64640863
1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 62030770
2-(aminomethyl)-1-(3,4-difluorophenyl)-3-methylbutan-1-one
CID 116573820
4-(1-ethoxypropan-2-yloxy)-3,5-difluorobenzoic acid
CID 103487163
1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
CID 115942341
1-(3,4-difluorophenyl)-2-[ethyl(propyl)amino]propan-1-one
CID 43795368

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one (CID 103489321) is 1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one is CCOCC(C)OC(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one?
The InChIKey is XKYBFCMBKWXQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O3/c1-4-18-8-9(2)19-10(3)14(17)11-5-6-12(15)13(16)7-11/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one?
1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one has a molecular weight of 272.29 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one is sourced from PubChem (CID 103489321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).