1-(dimethoxymethyl)-4-(trifluoromethyl)benzene

C10H11F3O2 — CID 11276037

IUPAC1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
SMILESCOC(OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O2/c1-14-9(15-2)7-3-5-8(6-4-7)10(11,12)13/h3-6,9H,1-2H3
InChIKeyBPLJLDNVDOXXGA-UHFFFAOYSA-N
MW220.19 g/mol
LogP3.00
Rot. Bonds3

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

1-(dimethoxymethyl)-4-(trifluoromethyl)benzene (PubChem CID 11276037) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
PubChem CID11276037
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
SMILESCOC(OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O2/c1-14-9(15-2)7-3-5-8(6-4-7)10(11,12)13/h3-6,9H,1-2H3
InChIKeyBPLJLDNVDOXXGA-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(dimethoxymethyl)-4-(trifluoromethyl)benzene (CID 11276037) is 1-(dimethoxymethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(dimethoxymethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(dimethoxymethyl)-4-(trifluoromethyl)benzene is COC(OC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(dimethoxymethyl)-4-(trifluoromethyl)benzene?
The InChIKey is BPLJLDNVDOXXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-14-9(15-2)7-3-5-8(6-4-7)10(11,12)13/h3-6,9H,1-2H3.
What are the key properties of 1-(dimethoxymethyl)-4-(trifluoromethyl)benzene?
1-(dimethoxymethyl)-4-(trifluoromethyl)benzene has a molecular weight of 220.19 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 11276037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).