1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone

C11H11F3O2 — CID 164895831

IUPAC1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1c(F)cc(F)c(OC(C)C)c1F
InChIInChI=1S/C11H11F3O2/c1-5(2)16-11-8(13)4-7(12)9(6(3)15)10(11)14/h4-5H,1-3H3
InChIKeyCTLJDJIEWIGMRQ-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.09
Rot. Bonds3

About 1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone

1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone (PubChem CID 164895831) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone
PubChem CID164895831
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1c(F)cc(F)c(OC(C)C)c1F
InChIInChI=1S/C11H11F3O2/c1-5(2)16-11-8(13)4-7(12)9(6(3)15)10(11)14/h4-5H,1-3H3
InChIKeyCTLJDJIEWIGMRQ-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-fluoro-2-propan-2-yloxyphenyl)ethanone
CID 83904296
1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone
CID 15326154
1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone
CID 164772496
2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide
CID 166657301
1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone
CID 15345468
3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde
CID 164892812
3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride
CID 115704040
methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate
CID 169245923
1,2,3,4,5-pentafluoro-6-propan-2-yloxybenzene
CID 13411834
methyl 3-acetyl-2,5-difluoro-4-methoxybenzoate
CID 175282660
1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone
CID 131295418
2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid
CID 164892738

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone (CID 164895831) is 1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone is CC(=O)c1c(F)cc(F)c(OC(C)C)c1F.
What is the InChIKey of 1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone?
The InChIKey is CTLJDJIEWIGMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-5(2)16-11-8(13)4-7(12)9(6(3)15)10(11)14/h4-5H,1-3H3.
What are the key properties of 1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone?
1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone has a molecular weight of 232.20 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 164895831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).