2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one

C12H11BrClFO — CID 62394988

IUPAC2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one
SMILESO=C(C(Br)Cc1ccc(F)cc1Cl)C1CC1
InChIInChI=1S/C12H11BrClFO/c13-10(12(16)7-1-2-7)5-8-3-4-9(15)6-11(8)14/h3-4,6-7,10H,1-2,5H2
InChIKeySSIOGVSWYVRZJK-UHFFFAOYSA-N
MW305.57 g/mol
LogP3.76
Rot. Bonds4

About 2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one

2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one (PubChem CID 62394988) has the molecular formula C12H11BrClFO and a molecular weight of 305.57 g/mol. Its IUPAC name is 2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one
PubChem CID62394988
Molecular FormulaC12H11BrClFO
Molecular Weight305.57 g/mol
Exact Mass303.97
IUPAC Name2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one
SMILESO=C(C(Br)Cc1ccc(F)cc1Cl)C1CC1
InChIInChI=1S/C12H11BrClFO/c13-10(12(16)7-1-2-7)5-8-3-4-9(15)6-11(8)14/h3-4,6-7,10H,1-2,5H2
InChIKeySSIOGVSWYVRZJK-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.57
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one
CID 81274630
2-bromo-3-(2-chloro-5-methylphenyl)-1-cyclopropylpropan-1-one
CID 107627439
2-[(2-chloro-4-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)butane-1,3-dione
CID 90208819
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
2-chloro-1-(2-cyclopropyl-2-isocyanoethyl)-4-fluorobenzene
CID 176776865
2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020242
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088412
2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107188247
2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one
CID 65436242
2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one
CID 62395713
3-[1-chloro-3-(2-chloro-4-fluorophenyl)propan-2-yl]thiolane 1,1-dioxide
CID 66033743

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one?
The IUPAC name of 2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one (CID 62394988) is 2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one.
What is the SMILES notation for 2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one?
The canonical SMILES for 2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one is O=C(C(Br)Cc1ccc(F)cc1Cl)C1CC1.
What is the InChIKey of 2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one?
The InChIKey is SSIOGVSWYVRZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFO/c13-10(12(16)7-1-2-7)5-8-3-4-9(15)6-11(8)14/h3-4,6-7,10H,1-2,5H2.
What are the key properties of 2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one?
2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one has a molecular weight of 305.57 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one is sourced from PubChem (CID 62394988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).