1,1,1-trifluoro-5-phenoxypentan-3-one

C11H11F3O2 — CID 94504736

IUPAC1,1,1-trifluoro-5-phenoxypentan-3-one
SMILESO=C(CCOc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H11F3O2/c12-11(13,14)8-9(15)6-7-16-10-4-2-1-3-5-10/h1-5H,6-8H2
InChIKeyZNYWHOVARJDDGI-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.98
Rot. Bonds5

About 1,1,1-trifluoro-5-phenoxypentan-3-one

1,1,1-trifluoro-5-phenoxypentan-3-one (PubChem CID 94504736) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-phenoxypentan-3-one.

Molecular Properties

Compound Name1,1,1-trifluoro-5-phenoxypentan-3-one
PubChem CID94504736
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1,1,1-trifluoro-5-phenoxypentan-3-one
SMILESO=C(CCOc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H11F3O2/c12-11(13,14)8-9(15)6-7-16-10-4-2-1-3-5-10/h1-5H,6-8H2
InChIKeyZNYWHOVARJDDGI-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60797707
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CID 175105332
5-methyl-1-phenoxyhex-5-en-3-one
CID 79180149
3-phenoxy-1,1-bis(sulfanyl)propan-1-ol;2,2,2-trifluoroacetic acid
CID 87930370
1-phenoxytridecan-3-one
CID 63411817
1-cyclobutyl-4-phenoxybutan-2-one
CID 65458336
1-phenoxyoct-6-yn-3-one
CID 104803011
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
3,3-difluoro-4-phenoxybutanoic acid
CID 105469449
ethyl 2,2-difluoro-5-phenoxypentanoate
CID 163363293
N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 108795497

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-phenoxypentan-3-one?
The IUPAC name of 1,1,1-trifluoro-5-phenoxypentan-3-one (CID 94504736) is 1,1,1-trifluoro-5-phenoxypentan-3-one.
What is the SMILES notation for 1,1,1-trifluoro-5-phenoxypentan-3-one?
The canonical SMILES for 1,1,1-trifluoro-5-phenoxypentan-3-one is O=C(CCOc1ccccc1)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-phenoxypentan-3-one?
The InChIKey is ZNYWHOVARJDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-11(13,14)8-9(15)6-7-16-10-4-2-1-3-5-10/h1-5H,6-8H2.
What are the key properties of 1,1,1-trifluoro-5-phenoxypentan-3-one?
1,1,1-trifluoro-5-phenoxypentan-3-one has a molecular weight of 232.20 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-phenoxypentan-3-one is sourced from PubChem (CID 94504736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).