1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one

C15H21FO — CID 146613098

IUPAC1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1c(C(C)C)ccc(F)c1C(C)C
InChIInChI=1S/C15H21FO/c1-9(2)12-6-7-14(16)15(10(3)4)13(12)8-11(5)17/h6-7,9-10H,8H2,1-5H3
InChIKeyQTFDGMAKHBCQIY-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.20
Rot. Bonds4

About 1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one

1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one (PubChem CID 146613098) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one
PubChem CID146613098
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1c(C(C)C)ccc(F)c1C(C)C
InChIInChI=1S/C15H21FO/c1-9(2)12-6-7-14(16)15(10(3)4)13(12)8-11(5)17/h6-7,9-10H,8H2,1-5H3
InChIKeyQTFDGMAKHBCQIY-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[3-fluoro-2,6-di(propan-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-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one
CID 117374493
1-[3-fluoro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylpropan-2-one
CID 158175462
1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one
CID 83876626
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
CID 84674442
3-amino-2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117359416
1-(2,3,5,6-tetrafluorophenyl)propan-2-one
CID 117294401
2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117328561
2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
CID 145387602
hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium
CID 126564379
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 117297798
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
2-[2-[S-amino-N-[2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfonimidoyl]-1,3-thiazol-5-yl]-2-methylpropanoic acid
CID 167359032

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one (CID 146613098) is 1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one is CC(=O)Cc1c(C(C)C)ccc(F)c1C(C)C.
What is the InChIKey of 1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one?
The InChIKey is QTFDGMAKHBCQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-9(2)12-6-7-14(16)15(10(3)4)13(12)8-11(5)17/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one?
1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one has a molecular weight of 236.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 146613098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).