3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one

C15H11F3O2 — CID 43337660

IUPAC3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one
SMILESO=C(CC(F)(F)F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)10-14(19)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyAMGLWSGKNUSAOS-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.61
Rot. Bonds4

About 3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one

3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one (PubChem CID 43337660) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one
PubChem CID43337660
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one
SMILESO=C(CC(F)(F)F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)10-14(19)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyAMGLWSGKNUSAOS-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
4-phenoxybenzoyl bromide
CID 116924551
2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione
CID 167435267
4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
CID 98016741
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
CID 43651840
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one (CID 43337660) is 3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one is O=C(CC(F)(F)F)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one?
The InChIKey is AMGLWSGKNUSAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)10-14(19)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one?
3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one has a molecular weight of 280.25 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one is sourced from PubChem (CID 43337660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).