2-[2-(trifluoromethoxy)phenyl]ethyl formate

C10H9F3O3 — CID 87333917

IUPAC2-[2-(trifluoromethoxy)phenyl]ethyl formate
SMILESO=COCCc1ccccc1OC(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)16-9-4-2-1-3-8(9)5-6-15-7-14/h1-4,7H,5-6H2
InChIKeyYWPAZPXTYTXFHA-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.30
Rot. Bonds5

About 2-[2-(trifluoromethoxy)phenyl]ethyl formate

2-[2-(trifluoromethoxy)phenyl]ethyl formate (PubChem CID 87333917) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]ethyl formate.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]ethyl formate
PubChem CID87333917
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-[2-(trifluoromethoxy)phenyl]ethyl formate
SMILESO=COCCc1ccccc1OC(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)16-9-4-2-1-3-8(9)5-6-15-7-14/h1-4,7H,5-6H2
InChIKeyYWPAZPXTYTXFHA-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)-2-(trifluoromethoxy)benzene
CID 53433961
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
2-(2-ethylphenyl)ethyl formate
CID 58551958
3-[2-(trifluoromethoxy)phenyl]propanenitrile
CID 53434364
CID 142546618
CID 142546618
[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enyl] formate
CID 173173507
1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene
CID 166609590
2-(2-cyanophenyl)ethyl formate
CID 87149714
3-[2-iodo-3-(trifluoromethoxy)phenyl]propanal
CID 134638221
[2,5-bis(trifluoromethoxy)phenyl]methyl formate
CID 87851559

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]ethyl formate?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]ethyl formate (CID 87333917) is 2-[2-(trifluoromethoxy)phenyl]ethyl formate.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]ethyl formate?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]ethyl formate is O=COCCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]ethyl formate?
The InChIKey is YWPAZPXTYTXFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)16-9-4-2-1-3-8(9)5-6-15-7-14/h1-4,7H,5-6H2.
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]ethyl formate?
2-[2-(trifluoromethoxy)phenyl]ethyl formate has a molecular weight of 234.17 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]ethyl formate is sourced from PubChem (CID 87333917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).