(4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone

C16H11BrClFO — CID 106764298

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1F)C1CC1c1ccccc1
InChIInChI=1S/C16H11BrClFO/c17-13-7-6-10(15(19)14(13)18)16(20)12-8-11(12)9-4-2-1-3-5-9/h1-7,11-12H,8H2
InChIKeyYLNLQDIKKAXNIM-UHFFFAOYSA-N
MW353.62 g/mol
LogP5.23
Rot. Bonds3

About (4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone

(4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone (PubChem CID 106764298) has the molecular formula C16H11BrClFO and a molecular weight of 353.62 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
PubChem CID106764298
Molecular FormulaC16H11BrClFO
Molecular Weight353.62 g/mol
Exact Mass351.97
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1F)C1CC1c1ccccc1
InChIInChI=1S/C16H11BrClFO/c17-13-7-6-10(15(19)14(13)18)16(20)12-8-11(12)9-4-2-1-3-5-9/h1-7,11-12H,8H2
InChIKeyYLNLQDIKKAXNIM-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.62
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 116517023
(2-bromofuran-3-yl)-(2-phenylcyclopropyl)methanone
CID 106856807
(2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 105134844
2-(4-bromo-3-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 106763779
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 106761804
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone
CID 105134802
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one
CID 106763962
(4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone
CID 106876685
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone (CID 106764298) is (4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone is O=C(c1ccc(Br)c(Cl)c1F)C1CC1c1ccccc1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone?
The InChIKey is YLNLQDIKKAXNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFO/c17-13-7-6-10(15(19)14(13)18)16(20)12-8-11(12)9-4-2-1-3-5-9/h1-7,11-12H,8H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone?
(4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone has a molecular weight of 353.62 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 106764298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).