1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone

C14H9F3O — CID 61077688

IUPAC1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H9F3O/c15-10-6-4-9(5-7-10)8-13(18)14-11(16)2-1-3-12(14)17/h1-7H,8H2
InChIKeyPZOXQGKNIYDDFR-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.53
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone

1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 61077688) has the molecular formula C14H9F3O and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
PubChem CID61077688
Molecular FormulaC14H9F3O
Molecular Weight250.22 g/mol
Exact Mass250.06
IUPAC Name1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H9F3O/c15-10-6-4-9(5-7-10)8-13(18)14-11(16)2-1-3-12(14)17/h1-7H,8H2
InChIKeyPZOXQGKNIYDDFR-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone
CID 79757959
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
2-(4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 24723952
1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 148613451
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
1-(2,6-difluorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 159962805
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
1-(2,6-difluorophenyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone
CID 58404253
1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone
CID 149476999

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone (CID 61077688) is 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is PZOXQGKNIYDDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O/c15-10-6-4-9(5-7-10)8-13(18)14-11(16)2-1-3-12(14)17/h1-7H,8H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone?
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 250.22 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 61077688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).