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

Analyze bis(2-fluoro-3,5-dimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-3,5-dimethylphenyl)propan-1-one
CID 83988890
N-(2-fluoro-4,6-dimethylphenyl)acetamide
CID 126993830
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883185
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
3-acetyl-2-fluoro-5-methylbenzoic acid
CID 164892614
4-fluoro-5-methylbenzene-1,3-dicarboxylic acid
CID 151692716
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 103298331
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
(2-bromo-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337277

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).