[4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone

C20H18F4O3 — CID 101154322

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1COC1CCCCO1
InChIInChI=1S/C20H18F4O3/c21-17-9-8-13(11-16(17)20(22,23)24)19(25)15-6-2-1-5-14(15)12-27-18-7-3-4-10-26-18/h1-2,5-6,8-9,11,18H,3-4,7,10,12H2
InChIKeyMIGLDBRJTYDKHN-UHFFFAOYSA-N
MW382.35 g/mol
LogP5.12
Rot. Bonds5

About [4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone

[4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone (PubChem CID 101154322) has the molecular formula C20H18F4O3 and a molecular weight of 382.35 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone
PubChem CID101154322
Molecular FormulaC20H18F4O3
Molecular Weight382.35 g/mol
Exact Mass382.12
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1COC1CCCCO1
InChIInChI=1S/C20H18F4O3/c21-17-9-8-13(11-16(17)20(22,23)24)19(25)15-6-2-1-5-14(15)12-27-18-7-3-4-10-26-18/h1-2,5-6,8-9,11,18H,3-4,7,10,12H2
InChIKeyMIGLDBRJTYDKHN-UHFFFAOYSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 139900857
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
4-(oxan-2-yloxymethyl)-3-(trifluoromethyl)aniline
CID 91433320
2-[dimethyl(oxo)-λ6-sulfanylidene]-2-[2-(oxan-2-yloxymethyl)phenyl]acetonitrile
CID 135068109
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
2-[[3-(bromomethyl)-4-fluorophenyl]methoxy]oxane
CID 67128227
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[(2-fluoro-5-nitrophenyl)methoxy]oxane
CID 22179631
2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10392867
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone (CID 101154322) is [4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone is O=C(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1COC1CCCCO1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone?
The InChIKey is MIGLDBRJTYDKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4O3/c21-17-9-8-13(11-16(17)20(22,23)24)19(25)15-6-2-1-5-14(15)12-27-18-7-3-4-10-26-18/h1-2,5-6,8-9,11,18H,3-4,7,10,12H2.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone?
[4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone has a molecular weight of 382.35 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone is sourced from PubChem (CID 101154322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).