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

C15H10F4O3 — CID 146008152

IUPAC(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cc(C(=O)c2ccccc2OC(F)(F)F)ccc1F
InChIInChI=1S/C15H10F4O3/c1-21-13-8-9(6-7-11(13)16)14(20)10-4-2-3-5-12(10)22-15(17,18)19/h2-8H,1H3
InChIKeyQIGZWTQQLONCOA-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.96
Rot. Bonds4

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

(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 146008152) has the molecular formula C15H10F4O3 and a molecular weight of 314.23 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID146008152
Molecular FormulaC15H10F4O3
Molecular Weight314.23 g/mol
Exact Mass314.06
IUPAC Name(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cc(C(=O)c2ccccc2OC(F)(F)F)ccc1F
InChIInChI=1S/C15H10F4O3/c1-21-13-8-9(6-7-11(13)16)14(20)10-4-2-3-5-12(10)22-15(17,18)19/h2-8H,1H3
InChIKeyQIGZWTQQLONCOA-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
CID 114970401
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 130882674
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
2-methoxy-4-(2-methoxybenzoyl)benzaldehyde
CID 10825897
(3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone
CID 82073359
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 105094681

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone (CID 146008152) is (4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone is COc1cc(C(=O)c2ccccc2OC(F)(F)F)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is QIGZWTQQLONCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O3/c1-21-13-8-9(6-7-11(13)16)14(20)10-4-2-3-5-12(10)22-15(17,18)19/h2-8H,1H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 314.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 146008152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).