[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone

C16H13F3O2 — CID 65299025

IUPAC[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(OC(F)F)c2)cc(C)c1F
InChIInChI=1S/C16H13F3O2/c1-9-6-12(7-10(2)14(9)17)15(20)11-4-3-5-13(8-11)21-16(18)19/h3-8,16H,1-2H3
InChIKeyPBJKRYJINGXTDG-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.27
Rot. Bonds4

About [3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone

[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone (PubChem CID 65299025) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone
PubChem CID65299025
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(OC(F)F)c2)cc(C)c1F
InChIInChI=1S/C16H13F3O2/c1-9-6-12(7-10(2)14(9)17)15(20)11-4-3-5-13(8-11)21-16(18)19/h3-8,16H,1-2H3
InChIKeyPBJKRYJINGXTDG-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883266
[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 114971543
(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
CID 171472865
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313
1-[3-(difluoromethoxy)-4-fluoro-5-methylphenyl]ethanone
CID 131616126
3-[3-(difluoromethoxy)phenyl]-2-methyl-3-oxopropanenitrile
CID 43157235

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone (CID 65299025) is [3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone is Cc1cc(C(=O)c2cccc(OC(F)F)c2)cc(C)c1F.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone?
The InChIKey is PBJKRYJINGXTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-9-6-12(7-10(2)14(9)17)15(20)11-4-3-5-13(8-11)21-16(18)19/h3-8,16H,1-2H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone?
[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone has a molecular weight of 294.27 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 65299025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).