2-[4-(difluoromethoxy)phenyl]-1-phenylethanone

C15H12F2O2 — CID 86101125

IUPAC2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
SMILESO=C(Cc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H12F2O2/c16-15(17)19-13-8-6-11(7-9-13)10-14(18)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyXHPLNAQWLLREQF-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.71
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-1-phenylethanone

2-[4-(difluoromethoxy)phenyl]-1-phenylethanone (PubChem CID 86101125) has the molecular formula C15H12F2O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
PubChem CID86101125
Molecular FormulaC15H12F2O2
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
SMILESO=C(Cc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H12F2O2/c16-15(17)19-13-8-6-11(7-9-13)10-14(18)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyXHPLNAQWLLREQF-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid
CID 147173854
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone
CID 63199057
2-[4-(difluoromethoxy)phenyl]-N-(1,1-diphenylethyl)acetamide
CID 56522955
4-phenacylbenzoyl iodide
CID 142013538
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
1,2-diphenylethanone;diphenylmethanone
CID 141067729
2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone
CID 115736473
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1-phenylethanone?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1-phenylethanone (CID 86101125) is 2-[4-(difluoromethoxy)phenyl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-1-phenylethanone?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-1-phenylethanone is O=C(Cc1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-1-phenylethanone?
The InChIKey is XHPLNAQWLLREQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c16-15(17)19-13-8-6-11(7-9-13)10-14(18)12-4-2-1-3-5-12/h1-9,15H,10H2.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-1-phenylethanone?
2-[4-(difluoromethoxy)phenyl]-1-phenylethanone has a molecular weight of 262.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-1-phenylethanone is sourced from PubChem (CID 86101125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).