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

C11H11F3O2 — CID 62961699

IUPAC2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O2/c1-7(2)16-9-5-3-8(4-6-9)10(15)11(12,13)14/h3-7H,1-2H3
InChIKeyCNFUQXVFTQLUFK-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.22
Rot. Bonds3

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

2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone (PubChem CID 62961699) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
PubChem CID62961699
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O2/c1-7(2)16-9-5-3-8(4-6-9)10(15)11(12,13)14/h3-7H,1-2H3
InChIKeyCNFUQXVFTQLUFK-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
fluoro 4-propan-2-yloxybenzoate
CID 174701102
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 116710279
2,2,2-trifluoro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82295021
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 79061219
2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116557003
2,2-difluoro-3-hydroxy-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 62397060
2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 116709705

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone (CID 62961699) is 2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone is CC(C)Oc1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone?
The InChIKey is CNFUQXVFTQLUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-7(2)16-9-5-3-8(4-6-9)10(15)11(12,13)14/h3-7H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone?
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone has a molecular weight of 232.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 62961699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).