(3-bromophenyl)-(3-fluorophenyl)methanone

C13H8BrFO — CID 19780750

IUPAC(3-bromophenyl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C13H8BrFO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H
InChIKeyKGAQUGKHKYDPDW-UHFFFAOYSA-N
MW279.11 g/mol
LogP3.82
Rot. Bonds2

About (3-bromophenyl)-(3-fluorophenyl)methanone

(3-bromophenyl)-(3-fluorophenyl)methanone (PubChem CID 19780750) has the molecular formula C13H8BrFO and a molecular weight of 279.11 g/mol. Its IUPAC name is (3-bromophenyl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(3-fluorophenyl)methanone
PubChem CID19780750
Molecular FormulaC13H8BrFO
Molecular Weight279.11 g/mol
Exact Mass277.97
IUPAC Name(3-bromophenyl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C13H8BrFO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H
InChIKeyKGAQUGKHKYDPDW-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-amino-4-bromophenyl)-(3-fluorophenyl)methanone
CID 116591874
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
3-fluorobenzoyl bromide
CID 20822510
bis[3-(3-bromophenyl)phenyl]methanone;methane
CID 158177415
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
1-bromo-3-fluorobenzene;sulfane
CID 174932611
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
3-fluoro-N-hydroxybenzamide
CID 5082377
[2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone
CID 155548883

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3-fluorophenyl)methanone?
The IUPAC name of (3-bromophenyl)-(3-fluorophenyl)methanone (CID 19780750) is (3-bromophenyl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (3-bromophenyl)-(3-fluorophenyl)methanone?
The canonical SMILES for (3-bromophenyl)-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(3-fluorophenyl)methanone?
The InChIKey is KGAQUGKHKYDPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H.
What are the key properties of (3-bromophenyl)-(3-fluorophenyl)methanone?
(3-bromophenyl)-(3-fluorophenyl)methanone has a molecular weight of 279.11 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 19780750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).