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

C15H10F4O2 — CID 11231817

IUPAC[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(C(F)(F)F)c2F)cc1
InChIInChI=1S/C15H10F4O2/c1-21-10-7-5-9(6-8-10)14(20)11-3-2-4-12(13(11)16)15(17,18)19/h2-8H,1H3
InChIKeyWHTALSHSIWKVCP-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.08
Rot. Bonds3

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

[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone (PubChem CID 11231817) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone
PubChem CID11231817
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(C(F)(F)F)c2F)cc1
InChIInChI=1S/C15H10F4O2/c1-21-10-7-5-9(6-8-10)14(20)11-3-2-4-12(13(11)16)15(17,18)19/h2-8H,1H3
InChIKeyWHTALSHSIWKVCP-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone (CID 11231817) is [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cccc(C(F)(F)F)c2F)cc1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone?
The InChIKey is WHTALSHSIWKVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c1-21-10-7-5-9(6-8-10)14(20)11-3-2-4-12(13(11)16)15(17,18)19/h2-8H,1H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone?
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone has a molecular weight of 298.24 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 11231817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).