(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

C14H9F4NO2 — CID 105097287

IUPAC(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(C(F)(F)F)cn2)cc1F
InChIInChI=1S/C14H9F4NO2/c1-21-12-5-2-8(6-10(12)15)13(20)11-4-3-9(7-19-11)14(16,17)18/h2-7H,1H3
InChIKeyLLOFTJFWJGMYQE-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.48
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 105097287) has the molecular formula C14H9F4NO2 and a molecular weight of 299.22 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID105097287
Molecular FormulaC14H9F4NO2
Molecular Weight299.22 g/mol
Exact Mass299.06
IUPAC Name(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(C(F)(F)F)cn2)cc1F
InChIInChI=1S/C14H9F4NO2/c1-21-12-5-2-8(6-10(12)15)13(20)11-4-3-9(7-19-11)14(16,17)18/h2-7H,1H3
InChIKeyLLOFTJFWJGMYQE-UHFFFAOYSA-N
XLogP3.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone
CID 78923588
(4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105085929
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 53415618
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone
CID 54578441
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one
CID 82091108
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24856002
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 105097287) is (3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is COc1ccc(C(=O)c2ccc(C(F)(F)F)cn2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is LLOFTJFWJGMYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO2/c1-21-12-5-2-8(6-10(12)15)13(20)11-4-3-9(7-19-11)14(16,17)18/h2-7H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 299.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 105097287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).