bis(3,5-difluorophenyl)methanone

C13H6F4O — CID 2760569

IUPACbis(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H6F4O/c14-9-1-7(2-10(15)5-9)13(18)8-3-11(16)6-12(17)4-8/h1-6H
InChIKeyILKUXPUXDAVXDS-UHFFFAOYSA-N
MW254.18 g/mol
LogP3.47
Rot. Bonds2

About bis(3,5-difluorophenyl)methanone

bis(3,5-difluorophenyl)methanone (PubChem CID 2760569) has the molecular formula C13H6F4O and a molecular weight of 254.18 g/mol. Its IUPAC name is bis(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Namebis(3,5-difluorophenyl)methanone
PubChem CID2760569
Molecular FormulaC13H6F4O
Molecular Weight254.18 g/mol
Exact Mass254.04
IUPAC Namebis(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H6F4O/c14-9-1-7(2-10(15)5-9)13(18)8-3-11(16)6-12(17)4-8/h1-6H
InChIKeyILKUXPUXDAVXDS-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 3102
CID 3102
CID 7410
CID 7410
CID 7148
CID 7148
CID 637760
CID 637760
CID 8433
CID 8433
CID 8651
CID 8651
CID 65057
CID 65057
CID 12837
CID 12837
CID 10315
CID 10315
CID 66093
CID 66093
CID 7593
CID 7593
CID 9582
CID 9582

Frequently Asked Questions

What is the IUPAC name of bis(3,5-difluorophenyl)methanone?
The IUPAC name of bis(3,5-difluorophenyl)methanone (CID 2760569) is bis(3,5-difluorophenyl)methanone.
What is the SMILES notation for bis(3,5-difluorophenyl)methanone?
The canonical SMILES for bis(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1.
What is the InChIKey of bis(3,5-difluorophenyl)methanone?
The InChIKey is ILKUXPUXDAVXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4O/c14-9-1-7(2-10(15)5-9)13(18)8-3-11(16)6-12(17)4-8/h1-6H.
What are the key properties of bis(3,5-difluorophenyl)methanone?
bis(3,5-difluorophenyl)methanone has a molecular weight of 254.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-difluorophenyl)methanone is sourced from PubChem (CID 2760569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).