3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate

C15H10F3O3- — CID 21311724

IUPAC3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate
SMILESO=C([O-])C(c1cccc(Oc2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C15H11F3O3/c16-15(17,18)13(14(19)20)10-5-4-8-12(9-10)21-11-6-2-1-3-7-11/h1-9,13H,(H,19,20)/p-1
InChIKeyVNNVGDAEWCDYBU-UHFFFAOYSA-M
MW295.24 g/mol
LogP2.87
Rot. Bonds4

About 3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate

3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate (PubChem CID 21311724) has the molecular formula C15H10F3O3- and a molecular weight of 295.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate
PubChem CID21311724
Molecular FormulaC15H10F3O3-
Molecular Weight295.24 g/mol
Exact Mass295.06
IUPAC Name3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate
SMILESO=C([O-])C(c1cccc(Oc2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C15H11F3O3/c16-15(17,18)13(14(19)20)10-5-4-8-12(9-10)21-11-6-2-1-3-7-11/h1-9,13H,(H,19,20)/p-1
InChIKeyVNNVGDAEWCDYBU-UHFFFAOYSA-M
XLogP2.87
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;tris(2-(3-phenoxyphenyl)propanoate);dihydrate
CID 51371414
(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171239754
2-chloro-2-(3-phenoxyphenyl)acetamide
CID 55047576
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
CID 174660546
1-(3-phenoxyphenyl)ethanol
CID 12882419
3,3,3-trideuterio-2-(3-phenoxyphenyl)(313C)propanoic acid
CID 76974283
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
N,N-dimethyl-2-(3-phenoxyphenyl)propanamide
CID 21328452
1-[cyano-(3-phenoxyphenyl)methyl]-2-(1,2-dibromo-2,2-difluoroethyl)cyclopropane-1-carboxylate
CID 150356975
2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
CID 43651840

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate?
The IUPAC name of 3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate (CID 21311724) is 3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate.
What is the SMILES notation for 3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate?
The canonical SMILES for 3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate is O=C([O-])C(c1cccc(Oc2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate?
The InChIKey is VNNVGDAEWCDYBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)13(14(19)20)10-5-4-8-12(9-10)21-11-6-2-1-3-7-11/h1-9,13H,(H,19,20)/p-1.
What are the key properties of 3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate?
3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate has a molecular weight of 295.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate is sourced from PubChem (CID 21311724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).