(3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone

C16H12BrFO — CID 79735854

IUPAC(3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H12BrFO/c17-13-10-11(6-7-14(13)18)15(19)16(8-9-16)12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyFFLCEUUGWQVKGK-UHFFFAOYSA-N
MW319.17 g/mol
LogP4.50
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone

(3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone (PubChem CID 79735854) has the molecular formula C16H12BrFO and a molecular weight of 319.17 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone
PubChem CID79735854
Molecular FormulaC16H12BrFO
Molecular Weight319.17 g/mol
Exact Mass318.01
IUPAC Name(3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H12BrFO/c17-13-10-11(6-7-14(13)18)15(19)16(8-9-16)12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyFFLCEUUGWQVKGK-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 115661448
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone
CID 107128300
(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone
CID 55181920
3-bromo-4-fluorobenzoyl bromide
CID 3018761
(4-ethylphenyl)-(1-phenylcyclopropyl)methanone
CID 62879139
2-(3-bromo-2,6-difluorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 106266060
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
CID 107957005
2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene
CID 79742516
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 84811106
2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783
(1-phenylcyclopropyl)-(3-propylphenyl)methanone
CID 116543203

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone (CID 79735854) is (3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone is O=C(c1ccc(F)c(Br)c1)C1(c2ccccc2)CC1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone?
The InChIKey is FFLCEUUGWQVKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO/c17-13-10-11(6-7-14(13)18)15(19)16(8-9-16)12-4-2-1-3-5-12/h1-7,10H,8-9H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone?
(3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone has a molecular weight of 319.17 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 79735854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).