1-[4-(fluoromethyl)phenyl]propan-2-one

C10H11FO — CID 84652370

IUPAC1-[4-(fluoromethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(CF)cc1
InChIInChI=1S/C10H11FO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h2-5H,6-7H2,1H3
InChIKeyGFSLWWQALWYUQY-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.29
Rot. Bonds3

About 1-[4-(fluoromethyl)phenyl]propan-2-one

1-[4-(fluoromethyl)phenyl]propan-2-one (PubChem CID 84652370) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-[4-(fluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(fluoromethyl)phenyl]propan-2-one
PubChem CID84652370
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name1-[4-(fluoromethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(CF)cc1
InChIInChI=1S/C10H11FO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h2-5H,6-7H2,1H3
InChIKeyGFSLWWQALWYUQY-UHFFFAOYSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one
CID 83885755
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
benzene;1-phenylpropan-2-one
CID 21430852
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-(ethoxymethyl)phenyl]propan-2-one
CID 83878087
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960
[4-(2-oxopropyl)phenyl]boronic acid
CID 74788275
1-[4-(trifluoromethylsulfonyl)phenyl]propan-2-one
CID 63199172

Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(fluoromethyl)phenyl]propan-2-one (CID 84652370) is 1-[4-(fluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(fluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(fluoromethyl)phenyl]propan-2-one is CC(=O)Cc1ccc(CF)cc1.
What is the InChIKey of 1-[4-(fluoromethyl)phenyl]propan-2-one?
The InChIKey is GFSLWWQALWYUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h2-5H,6-7H2,1H3.
What are the key properties of 1-[4-(fluoromethyl)phenyl]propan-2-one?
1-[4-(fluoromethyl)phenyl]propan-2-one has a molecular weight of 166.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 84652370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).