1-(ethoxymethyl)-4-(trifluoromethyl)benzene

C10H11F3O — CID 11016877

IUPAC1-(ethoxymethyl)-4-(trifluoromethyl)benzene
SMILESCCOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O/c1-2-14-7-8-3-5-9(6-4-8)10(11,12)13/h3-6H,2,7H2,1H3
InChIKeyGDSWOTCSTHKKSB-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.24
Rot. Bonds3

About 1-(ethoxymethyl)-4-(trifluoromethyl)benzene

1-(ethoxymethyl)-4-(trifluoromethyl)benzene (PubChem CID 11016877) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-(trifluoromethyl)benzene
PubChem CID11016877
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name1-(ethoxymethyl)-4-(trifluoromethyl)benzene
SMILESCCOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O/c1-2-14-7-8-3-5-9(6-4-8)10(11,12)13/h3-6H,2,7H2,1H3
InChIKeyGDSWOTCSTHKKSB-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(ethoxymethyl)-4-(trifluoromethyl)benzene (CID 11016877) is 1-(ethoxymethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(ethoxymethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(ethoxymethyl)-4-(trifluoromethyl)benzene is CCOCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(ethoxymethyl)-4-(trifluoromethyl)benzene?
The InChIKey is GDSWOTCSTHKKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-2-14-7-8-3-5-9(6-4-8)10(11,12)13/h3-6H,2,7H2,1H3.
What are the key properties of 1-(ethoxymethyl)-4-(trifluoromethyl)benzene?
1-(ethoxymethyl)-4-(trifluoromethyl)benzene has a molecular weight of 204.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 11016877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).