1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone

C10H9F3O2 — CID 131616132

IUPAC1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)c(F)c1OC(F)F
InChIInChI=1S/C10H9F3O2/c1-5-3-4-7(6(2)14)9(8(5)11)15-10(12)13/h3-4,10H,1-2H3
InChIKeyITTLRCSBWJZKQI-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.94
Rot. Bonds3

About 1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone

1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone (PubChem CID 131616132) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone
PubChem CID131616132
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)c(F)c1OC(F)F
InChIInChI=1S/C10H9F3O2/c1-5-3-4-7(6(2)14)9(8(5)11)15-10(12)13/h3-4,10H,1-2H3
InChIKeyITTLRCSBWJZKQI-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)-3-iodo-4-methylphenyl]ethanone
CID 131629632
1-[2-amino-3-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171027157
1-[2-chloro-3-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171006355
1-[3-(difluoromethoxy)-4-fluoro-2-methylphenyl]ethanone
CID 131615132
6-acetyl-2-(difluoromethoxy)-3-fluorobenzonitrile
CID 131396248
3-acetyl-6-bromo-2-(difluoromethoxy)benzonitrile
CID 171000692
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171027893
1-[2-(difluoromethoxy)-4-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171032142
3-acetyl-6-chloro-2-(difluoromethoxy)benzaldehyde
CID 171006600
1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586
1-[2-(difluoromethoxy)-6-iodo-3-methylphenyl]ethanone
CID 131616291
1-(3-fluoro-2-hydroxy-4-methylphenyl)ethanone
CID 117276578

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone?
The IUPAC name of 1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone (CID 131616132) is 1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone?
The canonical SMILES for 1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone is CC(=O)c1ccc(C)c(F)c1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone?
The InChIKey is ITTLRCSBWJZKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-5-3-4-7(6(2)14)9(8(5)11)15-10(12)13/h3-4,10H,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone?
1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone has a molecular weight of 218.17 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone is sourced from PubChem (CID 131616132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).