[1-(trifluoromethyl)cyclopropyl] formate

C5H5F3O2 — CID 87139696

IUPAC[1-(trifluoromethyl)cyclopropyl] formate
SMILESO=COC1(C(F)(F)F)CC1
InChIInChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)10-3-9/h3H,1-2H2
InChIKeyHKQXADSAMWDUQV-UHFFFAOYSA-N
MW154.09 g/mol
LogP1.25
Rot. Bonds2

About [1-(trifluoromethyl)cyclopropyl] formate

[1-(trifluoromethyl)cyclopropyl] formate (PubChem CID 87139696) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopropyl] formate.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopropyl] formate
PubChem CID87139696
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name[1-(trifluoromethyl)cyclopropyl] formate
SMILESO=COC1(C(F)(F)F)CC1
InChIInChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)10-3-9/h3H,1-2H2
InChIKeyHKQXADSAMWDUQV-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.25
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 [1-(trifluoromethyl)cyclopropyl] formate?
The IUPAC name of [1-(trifluoromethyl)cyclopropyl] formate (CID 87139696) is [1-(trifluoromethyl)cyclopropyl] formate.
What is the SMILES notation for [1-(trifluoromethyl)cyclopropyl] formate?
The canonical SMILES for [1-(trifluoromethyl)cyclopropyl] formate is O=COC1(C(F)(F)F)CC1.
What is the InChIKey of [1-(trifluoromethyl)cyclopropyl] formate?
The InChIKey is HKQXADSAMWDUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)10-3-9/h3H,1-2H2.
What are the key properties of [1-(trifluoromethyl)cyclopropyl] formate?
[1-(trifluoromethyl)cyclopropyl] formate has a molecular weight of 154.09 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopropyl] formate is sourced from PubChem (CID 87139696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).