4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene

C14H18ClF3O2 — CID 115942949

IUPAC4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene
SMILESCC(C)(C)OCCOc1ccc(CCl)cc1C(F)(F)F
InChIInChI=1S/C14H18ClF3O2/c1-13(2,3)20-7-6-19-12-5-4-10(9-15)8-11(12)14(16,17)18/h4-5,8H,6-7,9H2,1-3H3
InChIKeyUXZSFNWHIBRKAV-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.64
Rot. Bonds5

About 4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene

4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene (PubChem CID 115942949) has the molecular formula C14H18ClF3O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene
PubChem CID115942949
Molecular FormulaC14H18ClF3O2
Molecular Weight310.74 g/mol
Exact Mass310.09
IUPAC Name4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene
SMILESCC(C)(C)OCCOc1ccc(CCl)cc1C(F)(F)F
InChIInChI=1S/C14H18ClF3O2/c1-13(2,3)20-7-6-19-12-5-4-10(9-15)8-11(12)14(16,17)18/h4-5,8H,6-7,9H2,1-3H3
InChIKeyUXZSFNWHIBRKAV-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene (CID 115942949) is 4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene is CC(C)(C)OCCOc1ccc(CCl)cc1C(F)(F)F.
What is the InChIKey of 4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene?
The InChIKey is UXZSFNWHIBRKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3O2/c1-13(2,3)20-7-6-19-12-5-4-10(9-15)8-11(12)14(16,17)18/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene?
4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene has a molecular weight of 310.74 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 115942949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).