1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone

C16H13F3O3 — CID 52561273

IUPAC1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O3/c1-11(20)13-4-8-14(9-5-13)21-10-12-2-6-15(7-3-12)22-16(17,18)19/h2-9H,10H2,1H3
InChIKeyGKXIZIMUPRZJHV-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.37
Rot. Bonds5

About 1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone

1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone (PubChem CID 52561273) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
PubChem CID52561273
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O3/c1-11(20)13-4-8-14(9-5-13)21-10-12-2-6-15(7-3-12)22-16(17,18)19/h2-9H,10H2,1H3
InChIKeyGKXIZIMUPRZJHV-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
CID 2216486
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
3-(methyldiazenyl)-4-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]benzoic acid
CID 71173697
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone (CID 52561273) is 1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone?
The InChIKey is GKXIZIMUPRZJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-11(20)13-4-8-14(9-5-13)21-10-12-2-6-15(7-3-12)22-16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone?
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone has a molecular weight of 310.27 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone is sourced from PubChem (CID 52561273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).