1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one

C12H14F2O — CID 83885755

IUPAC1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C(CF)CF)cc1
InChIInChI=1S/C12H14F2O/c1-9(15)6-10-2-4-11(5-3-10)12(7-13)8-14/h2-5,12H,6-8H2,1H3
InChIKeyQJYSVCIPRULHRR-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.84
Rot. Bonds5

About 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one

1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one (PubChem CID 83885755) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one
PubChem CID83885755
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C(CF)CF)cc1
InChIInChI=1S/C12H14F2O/c1-9(15)6-10-2-4-11(5-3-10)12(7-13)8-14/h2-5,12H,6-8H2,1H3
InChIKeyQJYSVCIPRULHRR-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one
CID 117318122
benzene;1-phenylpropan-2-one
CID 21430852
1-[4-(2-oxopropyl)phenyl]ethylsulfamic acid
CID 138522101
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
1-(4-propylphenyl)propan-2-one
CID 82490574
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
CID 155748385
1-[4-(3-hydroxybutyl)phenyl]propan-2-one
CID 117114950

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one (CID 83885755) is 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one is CC(=O)Cc1ccc(C(CF)CF)cc1.
What is the InChIKey of 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one?
The InChIKey is QJYSVCIPRULHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-9(15)6-10-2-4-11(5-3-10)12(7-13)8-14/h2-5,12H,6-8H2,1H3.
What are the key properties of 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one?
1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one has a molecular weight of 212.24 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 83885755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).