1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene

C16H15F3O — CID 171509620

IUPAC1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene
SMILESCCc1ccccc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3O/c1-2-12-5-3-4-6-13(12)11-20-15-9-7-14(8-10-15)16(17,18)19/h3-10H,2,11H2,1H3
InChIKeyQYTDRQVPCQDRCC-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.85
Rot. Bonds4

About 1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene

1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene (PubChem CID 171509620) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene
PubChem CID171509620
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene
SMILESCCc1ccccc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3O/c1-2-12-5-3-4-6-13(12)11-20-15-9-7-14(8-10-15)16(17,18)19/h3-10H,2,11H2,1H3
InChIKeyQYTDRQVPCQDRCC-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene?
The IUPAC name of 1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene (CID 171509620) is 1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene is CCc1ccccc1COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene?
The InChIKey is QYTDRQVPCQDRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-2-12-5-3-4-6-13(12)11-20-15-9-7-14(8-10-15)16(17,18)19/h3-10H,2,11H2,1H3.
What are the key properties of 1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene?
1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene has a molecular weight of 280.29 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 171509620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).