(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C14H9F4NO — CID 102707550

IUPAC(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cc(C(=O)c2cnccc2C(F)(F)F)ccc1F
InChIInChI=1S/C14H9F4NO/c1-8-6-9(2-3-12(8)15)13(20)10-7-19-5-4-11(10)14(16,17)18/h2-7H,1H3
InChIKeyQMSLGEODJDMHIU-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.78
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102707550) has the molecular formula C14H9F4NO and a molecular weight of 283.22 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102707550
Molecular FormulaC14H9F4NO
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cc(C(=O)c2cnccc2C(F)(F)F)ccc1F
InChIInChI=1S/C14H9F4NO/c1-8-6-9(2-3-12(8)15)13(20)10-7-19-5-4-11(10)14(16,17)18/h2-7H,1H3
InChIKeyQMSLGEODJDMHIU-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707594
(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709294
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone
CID 107288338
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
CID 62789749
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709472
(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707726
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 115911568

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102707550) is (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is Cc1cc(C(=O)c2cnccc2C(F)(F)F)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is QMSLGEODJDMHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c1-8-6-9(2-3-12(8)15)13(20)10-7-19-5-4-11(10)14(16,17)18/h2-7H,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 283.22 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102707550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).