[4-(trifluoromethyl)phenyl]methyl benzoate

C15H11F3O2 — CID 57253318

IUPAC[4-(trifluoromethyl)phenyl]methyl benzoate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)13-8-6-11(7-9-13)10-20-14(19)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyUMZAUSNEEFIVRJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.06
Rot. Bonds3

About [4-(trifluoromethyl)phenyl]methyl benzoate

[4-(trifluoromethyl)phenyl]methyl benzoate (PubChem CID 57253318) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl benzoate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl benzoate
PubChem CID57253318
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name[4-(trifluoromethyl)phenyl]methyl benzoate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)13-8-6-11(7-9-13)10-20-14(19)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyUMZAUSNEEFIVRJ-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl Benzoate
CID 2345
Methyl Benzoate
CID 7150
Dimethyl terephthalate
CID 8441
Butyl Benzoate
CID 8698
Hexyl benzoate
CID 23235
Di-(2-ethylhexyl) terephthalate
CID 22932
Propyl Benzoate
CID 16846
Phenethyl Benzoate
CID 7194
3-Hexenyl benzoate, (3Z)-
CID 5367706
Prenyl benzoate
CID 21265
Ethyl benzoate
CID 7165
Benzyl phenylacetate
CID 60999

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl benzoate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl benzoate (CID 57253318) is [4-(trifluoromethyl)phenyl]methyl benzoate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl benzoate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl benzoate is O=C(OCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl benzoate?
The InChIKey is UMZAUSNEEFIVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)13-8-6-11(7-9-13)10-20-14(19)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of [4-(trifluoromethyl)phenyl]methyl benzoate?
[4-(trifluoromethyl)phenyl]methyl benzoate has a molecular weight of 280.25 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl benzoate is sourced from PubChem (CID 57253318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).