1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one

C50H52Cl4F4O5 — CID 159763387

IUPAC1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(Cl)c(Cl)c1.CC(C)C(=O)c1ccc(Cl)cc1.CC(C)C(=O)c1ccc(Cl)cc1F.CC(C)C(=O)c1ccc(F)cc1.CC(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H10Cl2O.C10H10ClFO.C10H11ClO.C10H10F2O.C10H11FO/c1-6(2)10(13)7-3-4-8(11)9(12)5-7;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)10(12)8-3-5-9(11)6-4-8;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)10(12)8-3-5-9(11)6-4-8/h2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3
InChIKeyNFEMVQPPYIZPNB-UHFFFAOYSA-N
MW950.76 g/mol
LogP15.80
Rot. Bonds10

About 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one

1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 159763387) has the molecular formula C50H52Cl4F4O5 and a molecular weight of 950.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID159763387
Molecular FormulaC50H52Cl4F4O5
Molecular Weight950.76 g/mol
Exact Mass948.25
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(Cl)c(Cl)c1.CC(C)C(=O)c1ccc(Cl)cc1.CC(C)C(=O)c1ccc(Cl)cc1F.CC(C)C(=O)c1ccc(F)cc1.CC(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H10Cl2O.C10H10ClFO.C10H11ClO.C10H10F2O.C10H11FO/c1-6(2)10(13)7-3-4-8(11)9(12)5-7;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)10(12)8-3-5-9(11)6-4-8;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)10(12)8-3-5-9(11)6-4-8/h2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3
InChIKeyNFEMVQPPYIZPNB-UHFFFAOYSA-N
XLogP15.80
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.76
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one (CID 159763387) is 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one is CC(C)C(=O)c1ccc(Cl)c(Cl)c1.CC(C)C(=O)c1ccc(Cl)cc1.CC(C)C(=O)c1ccc(Cl)cc1F.CC(C)C(=O)c1ccc(F)cc1.CC(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is NFEMVQPPYIZPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O.C10H10ClFO.C10H11ClO.C10H10F2O.C10H11FO/c1-6(2)10(13)7-3-4-8(11)9(12)5-7;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)10(12)8-3-5-9(11)6-4-8;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)10(12)8-3-5-9(11)6-4-8/h2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one?
1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 950.76 g/mol, XLogP of 15.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-one;1-(4-chlorophenyl)-2-methylpropan-1-one;1-(3,4-dichlorophenyl)-2-methylpropan-1-one;1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 159763387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).