ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone

C17H18F2O — CID 145105680

IUPACethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone
SMILESCC.CC(=O)c1cc(C)c(F)c(-c2ccccc2F)c1
InChIInChI=1S/C15H12F2O.C2H6/c1-9-7-11(10(2)18)8-13(15(9)17)12-5-3-4-6-14(12)16;1-2/h3-8H,1-2H3;1-2H3
InChIKeyQZYKOJYSASZXHS-UHFFFAOYSA-N
MW276.33 g/mol
LogP5.17
Rot. Bonds2

About ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone

ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone (PubChem CID 145105680) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone
PubChem CID145105680
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Nameethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone
SMILESCC.CC(=O)c1cc(C)c(F)c(-c2ccccc2F)c1
InChIInChI=1S/C15H12F2O.C2H6/c1-9-7-11(10(2)18)8-13(15(9)17)12-5-3-4-6-14(12)16;1-2/h3-8H,1-2H3;1-2H3
InChIKeyQZYKOJYSASZXHS-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.33
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone
CID 118330428
1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone
CID 118329320
1-(3,4-difluoro-5-phenylphenyl)ethanone
CID 117335912
1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone
CID 118330416
1-(4-chloro-3-fluoro-5-methylphenyl)ethanone
CID 118845013
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CID 22482354
1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone
CID 130178591
7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one
CID 20542087
1-[3-acetyl-2-(2-fluorophenyl)azulen-1-yl]ethanone
CID 157391831
methyl (E)-3-[4-fluoro-3-(2-fluorophenyl)phenyl]but-2-enoate
CID 82543597
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone?
The IUPAC name of ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone (CID 145105680) is ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone.
What is the SMILES notation for ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone?
The canonical SMILES for ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone is CC.CC(=O)c1cc(C)c(F)c(-c2ccccc2F)c1.
What is the InChIKey of ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone?
The InChIKey is QZYKOJYSASZXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O.C2H6/c1-9-7-11(10(2)18)8-13(15(9)17)12-5-3-4-6-14(12)16;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone?
ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone has a molecular weight of 276.33 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone is sourced from PubChem (CID 145105680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).