(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone

C14H9F3O2 — CID 103693772

IUPAC(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C14H9F3O2/c1-19-9-4-2-8(3-5-9)14(18)10-6-12(16)13(17)7-11(10)15/h2-7H,1H3
InChIKeyXGUBPRRMPIXNFJ-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.34
Rot. Bonds3

About (4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone

(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 103693772) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
PubChem CID103693772
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C14H9F3O2/c1-19-9-4-2-8(3-5-9)14(18)10-6-12(16)13(17)7-11(10)15/h2-7H,1H3
InChIKeyXGUBPRRMPIXNFJ-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693773
(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215178
(5-fluoro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone
CID 10354543
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
(3,4-difluorophenyl) 4-methoxybenzoate
CID 159231931

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone (CID 103693772) is (4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone is COc1ccc(C(=O)c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is XGUBPRRMPIXNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c1-19-9-4-2-8(3-5-9)14(18)10-6-12(16)13(17)7-11(10)15/h2-7H,1H3.
What are the key properties of (4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 266.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 103693772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).