bis(2-fluoro-3,5-dimethylphenyl)methanone

C17H16F2O — CID 139698663

IUPACbis(2-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C)c(F)c(C(=O)c2cc(C)cc(C)c2F)c1
InChIInChI=1S/C17H16F2O/c1-9-5-11(3)15(18)13(7-9)17(20)14-8-10(2)6-12(4)16(14)19/h5-8H,1-4H3
InChIKeyQWHYDHOHPNEGHE-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.43
Rot. Bonds2

About bis(2-fluoro-3,5-dimethylphenyl)methanone

bis(2-fluoro-3,5-dimethylphenyl)methanone (PubChem CID 139698663) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is bis(2-fluoro-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Namebis(2-fluoro-3,5-dimethylphenyl)methanone
PubChem CID139698663
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Namebis(2-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C)c(F)c(C(=O)c2cc(C)cc(C)c2F)c1
InChIInChI=1S/C17H16F2O/c1-9-5-11(3)15(18)13(7-9)17(20)14-8-10(2)6-12(4)16(14)19/h5-8H,1-4H3
InChIKeyQWHYDHOHPNEGHE-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2-fluoro-3,5-dimethylphenyl)methanone?
The IUPAC name of bis(2-fluoro-3,5-dimethylphenyl)methanone (CID 139698663) is bis(2-fluoro-3,5-dimethylphenyl)methanone.
What is the SMILES notation for bis(2-fluoro-3,5-dimethylphenyl)methanone?
The canonical SMILES for bis(2-fluoro-3,5-dimethylphenyl)methanone is Cc1cc(C)c(F)c(C(=O)c2cc(C)cc(C)c2F)c1.
What is the InChIKey of bis(2-fluoro-3,5-dimethylphenyl)methanone?
The InChIKey is QWHYDHOHPNEGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-9-5-11(3)15(18)13(7-9)17(20)14-8-10(2)6-12(4)16(14)19/h5-8H,1-4H3.
What are the key properties of bis(2-fluoro-3,5-dimethylphenyl)methanone?
bis(2-fluoro-3,5-dimethylphenyl)methanone has a molecular weight of 274.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluoro-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 139698663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).