1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone

C11H10F4O — CID 165347604

IUPAC1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone
SMILESCCCc1c(F)c(F)c(C(C)=O)c(F)c1F
InChIInChI=1S/C11H10F4O/c1-3-4-6-8(12)10(14)7(5(2)16)11(15)9(6)13/h3-4H2,1-2H3
InChIKeyGJGVZSZIMXLEBN-UHFFFAOYSA-N
MW234.19 g/mol
LogP3.40
Rot. Bonds3

About 1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone

1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone (PubChem CID 165347604) has the molecular formula C11H10F4O and a molecular weight of 234.19 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone
PubChem CID165347604
Molecular FormulaC11H10F4O
Molecular Weight234.19 g/mol
Exact Mass234.07
IUPAC Name1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone
SMILESCCCc1c(F)c(F)c(C(C)=O)c(F)c1F
InChIInChI=1S/C11H10F4O/c1-3-4-6-8(12)10(14)7(5(2)16)11(15)9(6)13/h3-4H2,1-2H3
InChIKeyGJGVZSZIMXLEBN-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane
CID 166866100
1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone
CID 19004302
1-ethenyl-2,3,5,6-tetrafluoro-4-propylbenzene
CID 168782513
2,3,4,5-tetrafluoro-6-heptylbenzoic acid
CID 22465875
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
4-fluoro-1-methyl-3-propylpyrrole-2-carboxylic acid
CID 174315821
2,3,4-trifluoro-6-heptyl-5-octylbenzamide
CID 57359754
1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
CID 123835256
1-(2-acetyl-6-amino-3,4,5-trifluorophenyl)ethanone
CID 87737254
1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone
CID 102273469
1,2,3,5-tetrafluoro-4-propylbenzene
CID 88575988
1-(3,5-dibromo-2,6-difluorophenyl)ethanone
CID 131033339

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone (CID 165347604) is 1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone is CCCc1c(F)c(F)c(C(C)=O)c(F)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone?
The InChIKey is GJGVZSZIMXLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O/c1-3-4-6-8(12)10(14)7(5(2)16)11(15)9(6)13/h3-4H2,1-2H3.
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone?
1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone has a molecular weight of 234.19 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone is sourced from PubChem (CID 165347604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).