2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide

C16H14F3NO3 — CID 12905997

IUPAC2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(N)=O
InChIInChI=1S/C16H14F3NO3/c1-10(15(20)21)22-12-6-8-14(9-7-12)23-13-4-2-11(3-5-13)16(17,18)19/h2-10H,1H3,(H2,20,21)
InChIKeyQFIMCOVNEDTOQT-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide

2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide (PubChem CID 12905997) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
PubChem CID12905997
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(N)=O
InChIInChI=1S/C16H14F3NO3/c1-10(15(20)21)22-12-6-8-14(9-7-12)23-13-4-2-11(3-5-13)16(17,18)19/h2-10H,1H3,(H2,20,21)
InChIKeyQFIMCOVNEDTOQT-UHFFFAOYSA-N
XLogP3.75
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanethioic S-acid
CID 20555453
ethyl (4R)-2-acetyl-3-oxo-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoate
CID 54009826
2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide
CID 145463915
2-[3,5-bis(trifluoromethyl)phenoxy]propanamide
CID 13242436
methyl (4R)-3-oxo-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoate
CID 13472766
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
butyl (2R)-2-[4-(trifluoromethyl)phenoxy]propanoate
CID 102301970
methyl 4-[2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoyloxy]benzoate
CID 150992309
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 70590063
[(2-chloroacetyl)amino]methyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 13325088
2-(2-chloroacetyl)oxyethynyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 158004558

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The IUPAC name of 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide (CID 12905997) is 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide is CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(N)=O.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The InChIKey is QFIMCOVNEDTOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-10(15(20)21)22-12-6-8-14(9-7-12)23-13-4-2-11(3-5-13)16(17,18)19/h2-10H,1H3,(H2,20,21).
What are the key properties of 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide has a molecular weight of 325.29 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide is sourced from PubChem (CID 12905997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).