(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone

C12H5Br2F3O2 — CID 63943403

IUPAC(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(Br)cc1C(F)(F)F)c1occc1Br
InChIInChI=1S/C12H5Br2F3O2/c13-6-1-2-7(8(5-6)12(15,16)17)10(18)11-9(14)3-4-19-11/h1-5H
InChIKeyMRWCOBKLJKDDFH-UHFFFAOYSA-N
MW397.97 g/mol
LogP5.05
Rot. Bonds2

About (3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone

(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone (PubChem CID 63943403) has the molecular formula C12H5Br2F3O2 and a molecular weight of 397.97 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone
PubChem CID63943403
Molecular FormulaC12H5Br2F3O2
Molecular Weight397.97 g/mol
Exact Mass395.86
IUPAC Name(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(Br)cc1C(F)(F)F)c1occc1Br
InChIInChI=1S/C12H5Br2F3O2/c13-6-1-2-7(8(5-6)12(15,16)17)10(18)11-9(14)3-4-19-11/h1-5H
InChIKeyMRWCOBKLJKDDFH-UHFFFAOYSA-N
XLogP5.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.97
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Bromophenyl)-2-furaldehyde
CID 619577
5-[2-(Trifluoromethyl)phenyl]furfural
CID 688280
5-(2-Bromophenyl)-2-furaldehyde
CID 1988450
2-[(4-Bromophenyl)carbonyl]furan
CID 11630200
(2E)-3-(3-Bromo-4-fluorophenyl)-1-(5-methylfuran-2-YL)prop-2-EN-1-one
CID 24506553
3-(4-Bromophenyl)-1-(2-furyl)prop-2-en-1-one
CID 5712177
5-(2-Bromo-4-methylphenyl)-2-furaldehyde
CID 876144
2-(4-Bromophenyl)furan
CID 11276114
5-(3-Bromophenyl)-2-furaldehyde
CID 840517
7-Bromo-1-benzofuran-2-carbaldehyde
CID 42609477
3-(4-Bromophenyl)furan
CID 90487852
Furan-2-yl-[4-(trifluoromethyl)phenyl]methanone
CID 16752339

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone (CID 63943403) is (3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(Br)cc1C(F)(F)F)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone?
The InChIKey is MRWCOBKLJKDDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br2F3O2/c13-6-1-2-7(8(5-6)12(15,16)17)10(18)11-9(14)3-4-19-11/h1-5H.
What are the key properties of (3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone?
(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone has a molecular weight of 397.97 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 63943403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).