1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone

C19H19F3O — CID 58953388

IUPAC1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone
SMILESCCCc1ccc(CC(=O)c2ccc(C)c(C(F)F)c2F)cc1
InChIInChI=1S/C19H19F3O/c1-3-4-13-6-8-14(9-7-13)11-16(23)15-10-5-12(2)17(18(15)20)19(21)22/h5-10,19H,3-4,11H2,1-2H3
InChIKeyTWWFLFIXOISSMQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP5.45
Rot. Bonds6

About 1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone

1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone (PubChem CID 58953388) has the molecular formula C19H19F3O and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone
PubChem CID58953388
Molecular FormulaC19H19F3O
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone
SMILESCCCc1ccc(CC(=O)c2ccc(C)c(C(F)F)c2F)cc1
InChIInChI=1S/C19H19F3O/c1-3-4-13-6-8-14(9-7-13)11-16(23)15-10-5-12(2)17(18(15)20)19(21)22/h5-10,19H,3-4,11H2,1-2H3
InChIKeyTWWFLFIXOISSMQ-UHFFFAOYSA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.35
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(difluoromethyl)-2-fluoro-4-methylphenyl] 4-propylbenzoate
CID 58953490
1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone
CID 118283753
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
3-(difluoromethyl)-1-[3,3-difluoro-3-(4-propylphenoxy)propyl]-2-fluoro-4-methylbenzene
CID 58953424
2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963933
2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene
CID 134237119
1-(4-propylphenyl)propan-2-one
CID 82490574
2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964096
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
1-[(E)-4-[4-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]phenyl]but-1-enyl]-2,3-difluoro-4-propylbenzene
CID 58953241
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone?
The IUPAC name of 1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone (CID 58953388) is 1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone?
The canonical SMILES for 1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone is CCCc1ccc(CC(=O)c2ccc(C)c(C(F)F)c2F)cc1.
What is the InChIKey of 1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone?
The InChIKey is TWWFLFIXOISSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O/c1-3-4-13-6-8-14(9-7-13)11-16(23)15-10-5-12(2)17(18(15)20)19(21)22/h5-10,19H,3-4,11H2,1-2H3.
What are the key properties of 1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone?
1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone has a molecular weight of 320.35 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone is sourced from PubChem (CID 58953388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).