(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone

C14H9F3O — CID 62802416

IUPAC(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(F)ccc2F)ccc1F
InChIInChI=1S/C14H9F3O/c1-8-6-9(2-4-12(8)16)14(18)11-7-10(15)3-5-13(11)17/h2-7H,1H3
InChIKeyQMJOHGAORSSYDX-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.64
Rot. Bonds2

About (2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone

(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 62802416) has the molecular formula C14H9F3O and a molecular weight of 250.22 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID62802416
Molecular FormulaC14H9F3O
Molecular Weight250.22 g/mol
Exact Mass250.06
IUPAC Name(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(F)ccc2F)ccc1F
InChIInChI=1S/C14H9F3O/c1-8-6-9(2-4-12(8)16)14(18)11-7-10(15)3-5-13(11)17/h2-7H,1H3
InChIKeyQMJOHGAORSSYDX-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
(2,5-difluorophenyl)-(3-iodophenyl)methanone
CID 43159823
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 43337472
(4-fluoro-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 82081761
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
CID 43337477
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone (CID 62802416) is (2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2cc(F)ccc2F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is QMJOHGAORSSYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O/c1-8-6-9(2-4-12(8)16)14(18)11-7-10(15)3-5-13(11)17/h2-7H,1H3.
What are the key properties of (2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone?
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 250.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 62802416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).