2-[3-(trifluoromethyl)phenyl]ethyl formate

C10H9F3O2 — CID 87333633

IUPAC2-[3-(trifluoromethyl)phenyl]ethyl formate
SMILESO=COCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O2/c11-10(12,13)9-3-1-2-8(6-9)4-5-15-7-14/h1-3,6-7H,4-5H2
InChIKeyYRWMVCUDATXFRM-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.42
Rot. Bonds4

About 2-[3-(trifluoromethyl)phenyl]ethyl formate

2-[3-(trifluoromethyl)phenyl]ethyl formate (PubChem CID 87333633) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]ethyl formate.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]ethyl formate
PubChem CID87333633
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]ethyl formate
SMILESO=COCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O2/c11-10(12,13)9-3-1-2-8(6-9)4-5-15-7-14/h1-3,6-7H,4-5H2
InChIKeyYRWMVCUDATXFRM-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
CID 70887141
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
CID 174932519
propan-2-one;3-[3-(trifluoromethyl)phenyl]propanal
CID 142437514
3-[2-[3-(trifluoromethyl)phenyl]ethoxy]propanoic acid
CID 59296246
dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethoxy]silane
CID 152769137
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
(2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal
CID 70677220
2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 115047089
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831
5-[[3-(trifluoromethyl)phenyl]methoxy]pentanal
CID 88661890
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]ethyl formate?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]ethyl formate (CID 87333633) is 2-[3-(trifluoromethyl)phenyl]ethyl formate.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]ethyl formate?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]ethyl formate is O=COCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]ethyl formate?
The InChIKey is YRWMVCUDATXFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-10(12,13)9-3-1-2-8(6-9)4-5-15-7-14/h1-3,6-7H,4-5H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]ethyl formate?
2-[3-(trifluoromethyl)phenyl]ethyl formate has a molecular weight of 218.17 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]ethyl formate is sourced from PubChem (CID 87333633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).