(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone

C14H8BrF3O — CID 114971667

IUPAC(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCc1c(Br)cccc1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H8BrF3O/c1-7-8(3-2-4-10(7)15)14(19)9-5-6-11(16)13(18)12(9)17/h2-6H,1H3
InChIKeyCHZIXRWJPKPKSC-UHFFFAOYSA-N
MW329.12 g/mol
LogP4.41
Rot. Bonds2

About (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone

(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 114971667) has the molecular formula C14H8BrF3O and a molecular weight of 329.12 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID114971667
Molecular FormulaC14H8BrF3O
Molecular Weight329.12 g/mol
Exact Mass327.97
IUPAC Name(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCc1c(Br)cccc1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H8BrF3O/c1-7-8(3-2-4-10(7)15)14(19)9-5-6-11(16)13(18)12(9)17/h2-6H,1H3
InChIKeyCHZIXRWJPKPKSC-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.12
LogP ≤ 54.41
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

(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79732183
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(2-bromo-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107515094
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 115784139
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 82703694
(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749848
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone (CID 114971667) is (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone is Cc1c(Br)cccc1C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is CHZIXRWJPKPKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3O/c1-7-8(3-2-4-10(7)15)14(19)9-5-6-11(16)13(18)12(9)17/h2-6H,1H3.
What are the key properties of (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone?
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 329.12 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 114971667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).