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

C40H43F5O4 — CID 167672992

IUPAC1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(F)cc1.CC(C)C(=O)c1ccc(F)cc1F.CC(C)C(=O)c1cccc(F)c1.CC(C)C(=O)c1ccccc1F
InChIInChI=1S/C10H10F2O.3C10H11FO/c1-6(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;1-7(2)10(12)8-4-3-5-9(11)6-8;1-7(2)10(12)8-5-3-4-6-9(8)11/h3-6H,1-2H3;3*3-7H,1-2H3
InChIKeyUKBCXDKJKTYXFX-UHFFFAOYSA-N
MW682.77 g/mol
LogP10.80
Rot. Bonds8

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

1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 167672992) has the molecular formula C40H43F5O4 and a molecular weight of 682.77 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID167672992
Molecular FormulaC40H43F5O4
Molecular Weight682.77 g/mol
Exact Mass682.31
IUPAC Name1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(F)cc1.CC(C)C(=O)c1ccc(F)cc1F.CC(C)C(=O)c1cccc(F)c1.CC(C)C(=O)c1ccccc1F
InChIInChI=1S/C10H10F2O.3C10H11FO/c1-6(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;1-7(2)10(12)8-4-3-5-9(11)6-8;1-7(2)10(12)8-5-3-4-6-9(8)11/h3-6H,1-2H3;3*3-7H,1-2H3
InChIKeyUKBCXDKJKTYXFX-UHFFFAOYSA-N
XLogP10.80
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.77
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
fluorobenzene;1-(4-fluorophenyl)-2-methylpropan-1-one;2-methylpropanoyl chloride;trichloroalumane
CID 159184008
1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one
CID 43232354
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide
CID 145062937
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
3-(2-fluorophenyl)-2-methyl-3-oxopropanal
CID 112677228
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one (CID 167672992) is 1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one is CC(C)C(=O)c1ccc(F)cc1.CC(C)C(=O)c1ccc(F)cc1F.CC(C)C(=O)c1cccc(F)c1.CC(C)C(=O)c1ccccc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is UKBCXDKJKTYXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O.3C10H11FO/c1-6(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;1-7(2)10(12)8-4-3-5-9(11)6-8;1-7(2)10(12)8-5-3-4-6-9(8)11/h3-6H,1-2H3;3*3-7H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one?
1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 682.77 g/mol, XLogP of 10.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 167672992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).