1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one

C12H15FO — CID 84665532

IUPAC1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(C(C)(C)F)c1
InChIInChI=1S/C12H15FO/c1-9(14)7-10-5-4-6-11(8-10)12(2,3)13/h4-6,8H,7H2,1-3H3
InChIKeyKZELHGXDMKWDTA-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.02
Rot. Bonds3

About 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one

1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one (PubChem CID 84665532) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
PubChem CID84665532
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(C(C)(C)F)c1
InChIInChI=1S/C12H15FO/c1-9(14)7-10-5-4-6-11(8-10)12(2,3)13/h4-6,8H,7H2,1-3H3
InChIKeyKZELHGXDMKWDTA-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114916
1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114961
1-[3-chloro-5-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 138723380
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-phosphanylphenyl)propan-2-one
CID 142179381
1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832
1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane
CID 142914280
1-[3-(1-fluoroethyl)phenyl]propan-2-one
CID 84657401
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one (CID 84665532) is 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one is CC(=O)Cc1cccc(C(C)(C)F)c1.
What is the InChIKey of 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one?
The InChIKey is KZELHGXDMKWDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-9(14)7-10-5-4-6-11(8-10)12(2,3)13/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one?
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one has a molecular weight of 194.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 84665532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).