1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone

C12H14F2O2 — CID 171031742

IUPAC1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone
SMILESCCc1cc(C(C)=O)cc(OC(F)F)c1C
InChIInChI=1S/C12H14F2O2/c1-4-9-5-10(8(3)15)6-11(7(9)2)16-12(13)14/h5-6,12H,4H2,1-3H3
InChIKeyFHFRFUNPAADYTN-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.36
Rot. Bonds4

About 1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone

1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone (PubChem CID 171031742) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone
PubChem CID171031742
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone
SMILESCCc1cc(C(C)=O)cc(OC(F)F)c1C
InChIInChI=1S/C12H14F2O2/c1-4-9-5-10(8(3)15)6-11(7(9)2)16-12(13)14/h5-6,12H,4H2,1-3H3
InChIKeyFHFRFUNPAADYTN-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
CID 170996131
1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171006356
1-[3-(difluoromethoxy)-4-fluoro-5-methylphenyl]ethanone
CID 131616126
ethyl 3-(bromomethyl)-5-(difluoromethoxy)-4-methylbenzoate
CID 171017068
4-acetyl-2-(difluoromethoxy)-6-methylbenzaldehyde
CID 171032070
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone
CID 131626156
5-acetyl-2-(difluoromethoxy)-4-ethylbenzonitrile
CID 171030848
1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
CID 171031547
5-acetyl-2-amino-3-(difluoromethoxy)benzonitrile
CID 171028297
1-[3-(difluoromethoxy)-5-iodo-4-(trifluoromethyl)phenyl]ethanone
CID 171032155
1-[3-(difluoromethoxy)-4-iodo-5-nitrophenyl]ethanone
CID 171032183

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone?
The IUPAC name of 1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone (CID 171031742) is 1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone?
The canonical SMILES for 1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone is CCc1cc(C(C)=O)cc(OC(F)F)c1C.
What is the InChIKey of 1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone?
The InChIKey is FHFRFUNPAADYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-4-9-5-10(8(3)15)6-11(7(9)2)16-12(13)14/h5-6,12H,4H2,1-3H3.
What are the key properties of 1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone?
1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone has a molecular weight of 228.24 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone is sourced from PubChem (CID 171031742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).