1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone

C10H7BrF4O2 — CID 171032948

IUPAC1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(OC(F)F)ccc(C(F)F)c1Br
InChIInChI=1S/C10H7BrF4O2/c1-4(16)7-6(17-10(14)15)3-2-5(8(7)11)9(12)13/h2-3,9-10H,1H3
InChIKeyWMTVBWSPHRVUPS-UHFFFAOYSA-N
MW315.06 g/mol
LogP4.19
Rot. Bonds4

About 1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone

1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone (PubChem CID 171032948) has the molecular formula C10H7BrF4O2 and a molecular weight of 315.06 g/mol. Its IUPAC name is 1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
PubChem CID171032948
Molecular FormulaC10H7BrF4O2
Molecular Weight315.06 g/mol
Exact Mass313.96
IUPAC Name1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(OC(F)F)ccc(C(F)F)c1Br
InChIInChI=1S/C10H7BrF4O2/c1-4(16)7-6(17-10(14)15)3-2-5(8(7)11)9(12)13/h2-3,9-10H,1H3
InChIKeyWMTVBWSPHRVUPS-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.06
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-3-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131586320
1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone
CID 131586322
1-[6-bromo-3-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131597792
1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586
1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone
CID 171010271
methyl 2,3-dibromo-6-(difluoromethoxy)benzoate
CID 134648331
1-[6-amino-2-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
CID 171026052
1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131281136
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385
1-[3-bromo-6-(difluoromethyl)-2-fluorophenyl]ethanone
CID 131278161
1-[2-amino-6-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034018
3-acetyl-2-chloro-4-(difluoromethoxy)benzonitrile
CID 171001218

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone (CID 171032948) is 1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone is CC(=O)c1c(OC(F)F)ccc(C(F)F)c1Br.
What is the InChIKey of 1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone?
The InChIKey is WMTVBWSPHRVUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF4O2/c1-4(16)7-6(17-10(14)15)3-2-5(8(7)11)9(12)13/h2-3,9-10H,1H3.
What are the key properties of 1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone?
1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone has a molecular weight of 315.06 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171032948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).