[2-(trifluoromethyl)phenyl]methyl formate

C9H7F3O2 — CID 87333524

IUPAC[2-(trifluoromethyl)phenyl]methyl formate
SMILESO=COCc1ccccc1C(F)(F)F
InChIInChI=1S/C9H7F3O2/c10-9(11,12)8-4-2-1-3-7(8)5-14-6-13/h1-4,6H,5H2
InChIKeyKDIITQYLVWZKSH-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.38
Rot. Bonds3

About [2-(trifluoromethyl)phenyl]methyl formate

[2-(trifluoromethyl)phenyl]methyl formate (PubChem CID 87333524) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methyl formate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]methyl formate
PubChem CID87333524
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name[2-(trifluoromethyl)phenyl]methyl formate
SMILESO=COCc1ccccc1C(F)(F)F
InChIInChI=1S/C9H7F3O2/c10-9(11,12)8-4-2-1-3-7(8)5-14-6-13/h1-4,6H,5H2
InChIKeyKDIITQYLVWZKSH-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]methyl formate?
The IUPAC name of [2-(trifluoromethyl)phenyl]methyl formate (CID 87333524) is [2-(trifluoromethyl)phenyl]methyl formate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]methyl formate?
The canonical SMILES for [2-(trifluoromethyl)phenyl]methyl formate is O=COCc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)phenyl]methyl formate?
The InChIKey is KDIITQYLVWZKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c10-9(11,12)8-4-2-1-3-7(8)5-14-6-13/h1-4,6H,5H2.
What are the key properties of [2-(trifluoromethyl)phenyl]methyl formate?
[2-(trifluoromethyl)phenyl]methyl formate has a molecular weight of 204.15 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]methyl formate is sourced from PubChem (CID 87333524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).