(2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone

C15H12BrFO2 — CID 914585

IUPAC(2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)[C@H](Br)c2ccccc2)cc1F
InChIInChI=1S/C15H12BrFO2/c1-19-13-8-7-11(9-12(13)17)15(18)14(16)10-5-3-2-4-6-10/h2-9,14H,1H3/t14-/m1/s1
InChIKeyQYJSFUBOTZZDPO-CQSZACIVSA-N
MW323.16 g/mol
LogP4.15
Rot. Bonds4

About (2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone

(2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone (PubChem CID 914585) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is (2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone
PubChem CID914585
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name(2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)[C@H](Br)c2ccccc2)cc1F
InChIInChI=1S/C15H12BrFO2/c1-19-13-8-7-11(9-12(13)17)15(18)14(16)10-5-3-2-4-6-10/h2-9,14H,1H3/t14-/m1/s1
InChIKeyQYJSFUBOTZZDPO-CQSZACIVSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
2-amino-3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116920466
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 7542520
2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone
CID 81242733
(2S)-2-bromo-1-(3,4-dimethoxyphenyl)-2-pyridin-4-ylethanone
CID 99647138
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 116564462
1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride
CID 44667894
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone?
The IUPAC name of (2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone (CID 914585) is (2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone?
The canonical SMILES for (2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone is COc1ccc(C(=O)[C@H](Br)c2ccccc2)cc1F.
What is the InChIKey of (2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone?
The InChIKey is QYJSFUBOTZZDPO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-19-13-8-7-11(9-12(13)17)15(18)14(16)10-5-3-2-4-6-10/h2-9,14H,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone?
(2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone has a molecular weight of 323.16 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone is sourced from PubChem (CID 914585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).