1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one

C15H10F4O — CID 64558874

IUPAC1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1F)Cc1cc(F)ccc1F
InChIInChI=1S/C15H10F4O/c16-11-3-4-14(18)10(5-11)7-13(20)6-9-1-2-12(17)8-15(9)19/h1-5,8H,6-7H2
InChIKeyNANBGHWFKVBWQE-UHFFFAOYSA-N
MW282.24 g/mol
LogP3.60
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one

1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one (PubChem CID 64558874) has the molecular formula C15H10F4O and a molecular weight of 282.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
PubChem CID64558874
Molecular FormulaC15H10F4O
Molecular Weight282.24 g/mol
Exact Mass282.07
IUPAC Name1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1F)Cc1cc(F)ccc1F
InChIInChI=1S/C15H10F4O/c16-11-3-4-14(18)10(5-11)7-13(20)6-9-1-2-12(17)8-15(9)19/h1-5,8H,6-7H2
InChIKeyNANBGHWFKVBWQE-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 58272812
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 62828462
1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one
CID 106266079
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
2-(2,5-difluorophenyl)acetamide
CID 21245498
2-(2,5-difluorophenyl)acetate
CID 6951702
1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 105082505
1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 64559645
1-(2,5-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 65134795
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one (CID 64558874) is 1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one is O=C(Cc1ccc(F)cc1F)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one?
The InChIKey is NANBGHWFKVBWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O/c16-11-3-4-14(18)10(5-11)7-13(20)6-9-1-2-12(17)8-15(9)19/h1-5,8H,6-7H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one?
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one has a molecular weight of 282.24 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one is sourced from PubChem (CID 64558874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).