2,5-di(propan-2-yl)benzoyl fluoride

C13H17FO — CID 45081927

IUPAC2,5-di(propan-2-yl)benzoyl fluoride
SMILESCC(C)c1ccc(C(C)C)c(C(=O)F)c1
InChIInChI=1S/C13H17FO/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(14)15/h5-9H,1-4H3
InChIKeyXTQGXTXKTHPDKZ-UHFFFAOYSA-N
MW208.28 g/mol
LogP4.04
Rot. Bonds3

About 2,5-di(propan-2-yl)benzoyl fluoride

2,5-di(propan-2-yl)benzoyl fluoride (PubChem CID 45081927) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)benzoyl fluoride.

Molecular Properties

Compound Name2,5-di(propan-2-yl)benzoyl fluoride
PubChem CID45081927
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2,5-di(propan-2-yl)benzoyl fluoride
SMILESCC(C)c1ccc(C(C)C)c(C(=O)F)c1
InChIInChI=1S/C13H17FO/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(14)15/h5-9H,1-4H3
InChIKeyXTQGXTXKTHPDKZ-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442
(Z)-4-[2,5-di(propan-2-yl)phenyl]-4-hydroxy-2-oxobut-3-enoic acid
CID 46201055
methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate
CID 71377628
1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone
CID 22770095
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
1-(2-chloro-5-propan-2-ylphenyl)ethanone
CID 83988508
1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride
CID 53422269
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253
2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone
CID 59192858
[2,5-di(propan-2-yl)phenyl]phosphane
CID 146386628

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)benzoyl fluoride?
The IUPAC name of 2,5-di(propan-2-yl)benzoyl fluoride (CID 45081927) is 2,5-di(propan-2-yl)benzoyl fluoride.
What is the SMILES notation for 2,5-di(propan-2-yl)benzoyl fluoride?
The canonical SMILES for 2,5-di(propan-2-yl)benzoyl fluoride is CC(C)c1ccc(C(C)C)c(C(=O)F)c1.
What is the InChIKey of 2,5-di(propan-2-yl)benzoyl fluoride?
The InChIKey is XTQGXTXKTHPDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(14)15/h5-9H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)benzoyl fluoride?
2,5-di(propan-2-yl)benzoyl fluoride has a molecular weight of 208.28 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)benzoyl fluoride is sourced from PubChem (CID 45081927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).