(2,5-difluorophenyl)-(3-fluorophenyl)methanone

C13H7F3O — CID 43159843

IUPAC(2,5-difluorophenyl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H7F3O/c14-9-3-1-2-8(6-9)13(17)11-7-10(15)4-5-12(11)16/h1-7H
InChIKeyVSEATLLRFCUSJM-UHFFFAOYSA-N
MW236.19 g/mol
LogP3.33
Rot. Bonds2

About (2,5-difluorophenyl)-(3-fluorophenyl)methanone

(2,5-difluorophenyl)-(3-fluorophenyl)methanone (PubChem CID 43159843) has the molecular formula C13H7F3O and a molecular weight of 236.19 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(3-fluorophenyl)methanone
PubChem CID43159843
Molecular FormulaC13H7F3O
Molecular Weight236.19 g/mol
Exact Mass236.04
IUPAC Name(2,5-difluorophenyl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H7F3O/c14-9-3-1-2-8(6-9)13(17)11-7-10(15)4-5-12(11)16/h1-7H
InChIKeyVSEATLLRFCUSJM-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-difluorophenyl)-(3-iodophenyl)methanone
CID 43159823
methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
CID 22260738
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
[5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone
CID 22260789
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(2-bromo-4-chlorophenyl)-(3-fluorophenyl)methanone
CID 107996213
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
2-(3-fluorobenzoyl)benzaldehyde
CID 175472655
1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
CID 43337477
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(3-fluorophenyl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(3-fluorophenyl)methanone (CID 43159843) is (2,5-difluorophenyl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(3-fluorophenyl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(3-fluorophenyl)methanone?
The InChIKey is VSEATLLRFCUSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O/c14-9-3-1-2-8(6-9)13(17)11-7-10(15)4-5-12(11)16/h1-7H.
What are the key properties of (2,5-difluorophenyl)-(3-fluorophenyl)methanone?
(2,5-difluorophenyl)-(3-fluorophenyl)methanone has a molecular weight of 236.19 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 43159843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).