(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone

C13H5BrF4O — CID 114971661

IUPAC(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H5BrF4O/c14-9-3-1-6(15)5-8(9)13(19)7-2-4-10(16)12(18)11(7)17/h1-5H
InChIKeyDHQBHDHCMGSMGB-UHFFFAOYSA-N
MW333.08 g/mol
LogP4.24
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone

(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 114971661) has the molecular formula C13H5BrF4O and a molecular weight of 333.08 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID114971661
Molecular FormulaC13H5BrF4O
Molecular Weight333.08 g/mol
Exact Mass331.95
IUPAC Name(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H5BrF4O/c14-9-3-1-6(15)5-8(9)13(19)7-2-4-10(16)12(18)11(7)17/h1-5H
InChIKeyDHQBHDHCMGSMGB-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.08
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
(2-bromophenyl)-(2,5-difluorophenyl)methanone
CID 43159861
(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 115784139
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 66423624
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 82703694
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62865668
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone (CID 114971661) is (2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone is O=C(c1cc(F)ccc1Br)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is DHQBHDHCMGSMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF4O/c14-9-3-1-6(15)5-8(9)13(19)7-2-4-10(16)12(18)11(7)17/h1-5H.
What are the key properties of (2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone?
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 333.08 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 114971661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).