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

C13H6F4O — CID 103301189

IUPAC(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H6F4O/c14-9-4-2-1-3-7(9)13(18)8-5-11(16)12(17)6-10(8)15/h1-6H
InChIKeyMEEDYQDLPUHVKQ-UHFFFAOYSA-N
MW254.18 g/mol
LogP3.47
Rot. Bonds2

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

(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 103301189) has the molecular formula C13H6F4O and a molecular weight of 254.18 g/mol. Its IUPAC name is (2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
PubChem CID103301189
Molecular FormulaC13H6F4O
Molecular Weight254.18 g/mol
Exact Mass254.04
IUPAC Name(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H6F4O/c14-9-4-2-1-3-7(9)13(18)8-5-11(16)12(17)6-10(8)15/h1-6H
InChIKeyMEEDYQDLPUHVKQ-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693764
(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone
CID 141317556
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103304702
(2,5-diaminophenyl)-(2-fluorophenyl)methanone
CID 526486
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
4-(4,5-dicarboxy-2-fluorobenzoyl)-5-fluorophthalic acid
CID 67941508
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
2-fluorobenzamide;dihydrochloride
CID 22563899
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone
CID 130332180

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone (CID 103301189) is (2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone is O=C(c1ccccc1F)c1cc(F)c(F)cc1F.
What is the InChIKey of (2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is MEEDYQDLPUHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4O/c14-9-4-2-1-3-7(9)13(18)8-5-11(16)12(17)6-10(8)15/h1-6H.
What are the key properties of (2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone?
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 254.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 103301189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).