4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one

C13H17FO — CID 79704554

IUPAC4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1cc(C)cc(F)c1
InChIInChI=1S/C13H17FO/c1-9-5-11(7-12(14)6-9)13(3,4)8-10(2)15/h5-7H,8H2,1-4H3
InChIKeyCLYSPENIHNMFOE-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.39
Rot. Bonds3

About 4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one

4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one (PubChem CID 79704554) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one
PubChem CID79704554
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1cc(C)cc(F)c1
InChIInChI=1S/C13H17FO/c1-9-5-11(7-12(14)6-9)13(3,4)8-10(2)15/h5-7H,8H2,1-4H3
InChIKeyCLYSPENIHNMFOE-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,5-dimethylphenyl)-4-methylpentan-2-one
CID 64715296
(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
CID 130657350
2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol
CID 115401195
1-amino-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704426
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
CID 79692026
(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol
CID 130706389
4-(5-tert-butyl-2-methylphenyl)-4-methylpentan-2-one
CID 82086313
5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one
CID 64716140
4,4-difluoro-4-(3-fluorophenyl)butan-2-one
CID 105454124
4,4-difluoro-4-(3-methylphenyl)butan-2-one
CID 105451355
1-(3-fluoro-5-methylphenyl)-1-(4-methylphenyl)ethanol
CID 79691276

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one?
The IUPAC name of 4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one (CID 79704554) is 4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one is CC(=O)CC(C)(C)c1cc(C)cc(F)c1.
What is the InChIKey of 4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one?
The InChIKey is CLYSPENIHNMFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-9-5-11(7-12(14)6-9)13(3,4)8-10(2)15/h5-7H,8H2,1-4H3.
What are the key properties of 4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one?
4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one has a molecular weight of 208.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 79704554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).