(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone

C14H8F4O2 — CID 56980668

IUPAC(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H8F4O2/c1-20-11-5-2-7(15)6-9(11)14(19)8-3-4-10(16)13(18)12(8)17/h2-6H,1H3
InChIKeyXGRGLWDGJFSYEX-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.48
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone

(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 56980668) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID56980668
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H8F4O2/c1-20-11-5-2-7(15)6-9(11)14(19)8-3-4-10(16)13(18)12(8)17/h2-6H,1H3
InChIKeyXGRGLWDGJFSYEX-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone (CID 56980668) is (5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone is COc1ccc(F)cc1C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is XGRGLWDGJFSYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c1-20-11-5-2-7(15)6-9(11)14(19)8-3-4-10(16)13(18)12(8)17/h2-6H,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 284.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 56980668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).