[1-(trifluoromethyl)cyclohexyl] formate

C8H11F3O2 — CID 56976282

IUPAC[1-(trifluoromethyl)cyclohexyl] formate
SMILESO=COC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H11F3O2/c9-8(10,11)7(13-6-12)4-2-1-3-5-7/h6H,1-5H2
InChIKeyPKYZCYMDJXZMMI-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.42
Rot. Bonds2

About [1-(trifluoromethyl)cyclohexyl] formate

[1-(trifluoromethyl)cyclohexyl] formate (PubChem CID 56976282) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclohexyl] formate.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclohexyl] formate
PubChem CID56976282
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name[1-(trifluoromethyl)cyclohexyl] formate
SMILESO=COC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H11F3O2/c9-8(10,11)7(13-6-12)4-2-1-3-5-7/h6H,1-5H2
InChIKeyPKYZCYMDJXZMMI-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.42
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)cyclohexyl] formate?
The IUPAC name of [1-(trifluoromethyl)cyclohexyl] formate (CID 56976282) is [1-(trifluoromethyl)cyclohexyl] formate.
What is the SMILES notation for [1-(trifluoromethyl)cyclohexyl] formate?
The canonical SMILES for [1-(trifluoromethyl)cyclohexyl] formate is O=COC1(C(F)(F)F)CCCCC1.
What is the InChIKey of [1-(trifluoromethyl)cyclohexyl] formate?
The InChIKey is PKYZCYMDJXZMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-8(10,11)7(13-6-12)4-2-1-3-5-7/h6H,1-5H2.
What are the key properties of [1-(trifluoromethyl)cyclohexyl] formate?
[1-(trifluoromethyl)cyclohexyl] formate has a molecular weight of 196.17 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclohexyl] formate is sourced from PubChem (CID 56976282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).