1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone

C12H12F4O2 — CID 171031547

IUPAC1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
SMILESCCc1cc(C(C)=O)c(C(F)F)cc1OC(F)F
InChIInChI=1S/C12H12F4O2/c1-3-7-4-8(6(2)17)9(11(13)14)5-10(7)18-12(15)16/h4-5,11-12H,3H2,1-2H3
InChIKeyZGMHRMOIOQUVNH-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.99
Rot. Bonds5

About 1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone

1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone (PubChem CID 171031547) has the molecular formula C12H12F4O2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
PubChem CID171031547
Molecular FormulaC12H12F4O2
Molecular Weight264.22 g/mol
Exact Mass264.08
IUPAC Name1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
SMILESCCc1cc(C(C)=O)c(C(F)F)cc1OC(F)F
InChIInChI=1S/C12H12F4O2/c1-3-7-4-8(6(2)17)9(11(13)14)5-10(7)18-12(15)16/h4-5,11-12H,3H2,1-2H3
InChIKeyZGMHRMOIOQUVNH-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone
CID 171006158
1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
CID 170996131
1-[2-(difluoromethyl)-4-ethoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171032408
1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone
CID 131629712
5-acetyl-2-(difluoromethoxy)-4-ethylbenzonitrile
CID 171030848
1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone
CID 171031742
1-[5-(difluoromethoxy)-2-ethyl-4-nitrophenyl]ethanone
CID 171031781
1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone
CID 171031583
1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone
CID 171031722
1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone
CID 171031684
1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone
CID 171031562
1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone
CID 171031662

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone (CID 171031547) is 1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone is CCc1cc(C(C)=O)c(C(F)F)cc1OC(F)F.
What is the InChIKey of 1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone?
The InChIKey is ZGMHRMOIOQUVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4O2/c1-3-7-4-8(6(2)17)9(11(13)14)5-10(7)18-12(15)16/h4-5,11-12H,3H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone?
1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone has a molecular weight of 264.22 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone is sourced from PubChem (CID 171031547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).