[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone

C14H9F4NO — CID 107288338

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H9F4NO/c1-8-4-5-19-7-10(8)13(20)9-2-3-11(12(15)6-9)14(16,17)18/h2-7H,1H3
InChIKeyDNLQIGFVHFEXAR-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.78
Rot. Bonds2

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

[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone (PubChem CID 107288338) has the molecular formula C14H9F4NO and a molecular weight of 283.22 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone
PubChem CID107288338
Molecular FormulaC14H9F4NO
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H9F4NO/c1-8-4-5-19-7-10(8)13(20)9-2-3-11(12(15)6-9)14(16,17)18/h2-7H,1H3
InChIKeyDNLQIGFVHFEXAR-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

(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707550
(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288416
(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709294
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707594
[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone
CID 107291233
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 114877527
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 130562265
(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 115781346
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone (CID 107288338) is [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone?
The InChIKey is DNLQIGFVHFEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c1-8-4-5-19-7-10(8)13(20)9-2-3-11(12(15)6-9)14(16,17)18/h2-7H,1H3.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone?
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-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 [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 107288338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).