ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone

C17H17F3O2 — CID 144993710

IUPACethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone
SMILESCC.CC(=O)c1ccc(Oc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H11F3O2.C2H6/c1-10(19)13-8-7-12(9-14(13)15(16,17)18)20-11-5-3-2-4-6-11;1-2/h2-9H,1H3;1-2H3
InChIKeyZVXFAIOMJWOCIZ-UHFFFAOYSA-N
MW310.32 g/mol
LogP5.73
Rot. Bonds3

About ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone

ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 144993710) has the molecular formula C17H17F3O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone
PubChem CID144993710
Molecular FormulaC17H17F3O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Nameethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone
SMILESCC.CC(=O)c1ccc(Oc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H11F3O2.C2H6/c1-10(19)13-8-7-12(9-14(13)15(16,17)18)20-11-5-3-2-4-6-11;1-2/h2-9H,1H3;1-2H3
InChIKeyZVXFAIOMJWOCIZ-UHFFFAOYSA-N
XLogP5.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.32
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
CID 21466174
4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
CID 62703071
4-(3-hydroxyphenoxy)-2-(trifluoromethyl)benzamide
CID 60869148
1-[4-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647114
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169
N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 166414376
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
CID 142513728
1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone
CID 91864256
ethyl 4-(4-chlorophenoxy)-2-(trifluoromethyl)benzoate
CID 167437593
4-(2-hydroxyphenoxy)-2-(trifluoromethyl)benzamide
CID 60869523
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone (CID 144993710) is ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone is CC.CC(=O)c1ccc(Oc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZVXFAIOMJWOCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2.C2H6/c1-10(19)13-8-7-12(9-14(13)15(16,17)18)20-11-5-3-2-4-6-11;1-2/h2-9H,1H3;1-2H3.
What are the key properties of ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone?
ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 310.32 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 144993710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).