1-[4-(1-fluoropropyl)phenyl]ethanone

C11H13FO — CID 84614625

IUPAC1-[4-(1-fluoropropyl)phenyl]ethanone
SMILESCCC(F)c1ccc(C(C)=O)cc1
InChIInChI=1S/C11H13FO/c1-3-11(12)10-6-4-9(5-7-10)8(2)13/h4-7,11H,3H2,1-2H3
InChIKeyULWWFBMZSOIAQD-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.31
Rot. Bonds3

About 1-[4-(1-fluoropropyl)phenyl]ethanone

1-[4-(1-fluoropropyl)phenyl]ethanone (PubChem CID 84614625) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-[4-(1-fluoropropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-fluoropropyl)phenyl]ethanone
PubChem CID84614625
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-[4-(1-fluoropropyl)phenyl]ethanone
SMILESCCC(F)c1ccc(C(C)=O)cc1
InChIInChI=1S/C11H13FO/c1-3-11(12)10-6-4-9(5-7-10)8(2)13/h4-7,11H,3H2,1-2H3
InChIKeyULWWFBMZSOIAQD-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone
CID 22760371
1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone
CID 91137941
1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone
CID 70849693
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301
1-(4-bromophenyl)ethanone;butane
CID 69403420
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1-[4-(2-ethylbutylsulfanyl)phenyl]ethanone
CID 82925078
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
1-(4-acetylphenyl)-2-methylbutan-1-one;ethane
CID 178178337

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoropropyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-fluoropropyl)phenyl]ethanone (CID 84614625) is 1-[4-(1-fluoropropyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-fluoropropyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-fluoropropyl)phenyl]ethanone is CCC(F)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(1-fluoropropyl)phenyl]ethanone?
The InChIKey is ULWWFBMZSOIAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-11(12)10-6-4-9(5-7-10)8(2)13/h4-7,11H,3H2,1-2H3.
What are the key properties of 1-[4-(1-fluoropropyl)phenyl]ethanone?
1-[4-(1-fluoropropyl)phenyl]ethanone has a molecular weight of 180.22 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoropropyl)phenyl]ethanone is sourced from PubChem (CID 84614625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).