(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone

C16H13F3O2 — CID 62801807

IUPAC(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCOc1cccc(C(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H13F3O2/c1-2-21-12-7-5-6-11(10-12)15(20)13-8-3-4-9-14(13)16(17,18)19/h3-10H,2H2,1H3
InChIKeyKGBGEOJCBGDXFZ-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.34
Rot. Bonds4

About (3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone

(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 62801807) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID62801807
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCOc1cccc(C(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H13F3O2/c1-2-21-12-7-5-6-11(10-12)15(20)13-8-3-4-9-14(13)16(17,18)19/h3-10H,2H2,1H3
InChIKeyKGBGEOJCBGDXFZ-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate
CID 24722930
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
(2-amino-3-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 116597765
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 115791328
(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105122490
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
bromobenzene;3-ethoxybenzoic acid
CID 174626248

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone (CID 62801807) is (3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone is CCOc1cccc(C(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of (3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is KGBGEOJCBGDXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-2-21-12-7-5-6-11(10-12)15(20)13-8-3-4-9-14(13)16(17,18)19/h3-10H,2H2,1H3.
What are the key properties of (3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone?
(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 294.27 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 62801807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).