(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone

C14H6BrF5O — CID 106944264

IUPAC(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H6BrF5O/c15-9-5-6-10(16)11(12(9)17)13(21)7-1-3-8(4-2-7)14(18,19)20/h1-6H
InChIKeyYWALHSPEYOTEAM-UHFFFAOYSA-N
MW365.10 g/mol
LogP4.98
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone

(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 106944264) has the molecular formula C14H6BrF5O and a molecular weight of 365.10 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID106944264
Molecular FormulaC14H6BrF5O
Molecular Weight365.10 g/mol
Exact Mass363.95
IUPAC Name(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H6BrF5O/c15-9-5-6-10(16)11(12(9)17)13(21)7-1-3-8(4-2-7)14(18,19)20/h1-6H
InChIKeyYWALHSPEYOTEAM-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 54.98
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

(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
1-(3-bromo-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-one
CID 106941670
[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
CID 62789591
(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
CID 106941716
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017
(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106943985
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
CID 106941643
(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106944116

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone (CID 106944264) is (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is YWALHSPEYOTEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrF5O/c15-9-5-6-10(16)11(12(9)17)13(21)7-1-3-8(4-2-7)14(18,19)20/h1-6H.
What are the key properties of (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone?
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 365.10 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 106944264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).