[2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate

C10H13F3O2 — CID 21053474

IUPAC[2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate
SMILESCC(=O)OC1(C(F)(F)F)CC2CCC1C2
InChIInChI=1S/C10H13F3O2/c1-6(14)15-9(10(11,12)13)5-7-2-3-8(9)4-7/h7-8H,2-5H2,1H3
InChIKeyFUNZCMNHKXEZIC-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.67
Rot. Bonds1

About [2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate

[2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate (PubChem CID 21053474) has the molecular formula C10H13F3O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is [2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate.

Molecular Properties

Compound Name[2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate
PubChem CID21053474
Molecular FormulaC10H13F3O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name[2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate
SMILESCC(=O)OC1(C(F)(F)F)CC2CCC1C2
InChIInChI=1S/C10H13F3O2/c1-6(14)15-9(10(11,12)13)5-7-2-3-8(9)4-7/h7-8H,2-5H2,1H3
InChIKeyFUNZCMNHKXEZIC-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Exo-methyl-bicyclo[2.2.1]heptyl trifluoroacetate
CID 129809139
Trimethylbicyclo[2.2.1]hept-2-yl acetate
CID 22179200
Trifluoroacetyl-alpha-fenchol
CID 556853
Trifluoroacetyl-camphenilol
CID 578869
(2-Methyl-2-bicyclo[2.2.1]heptanyl) 2-methyl-2-(trifluoromethyl)butanoate
CID 20756289
(8-Ethyl-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) acetate
CID 20761249
[3-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate
CID 21053303
(2,3,3-Trifluoro-2-bicyclo[2.2.1]heptanyl) acetate
CID 21053469
[3,3-Difluoro-2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate
CID 21053476
(2,3,3,4,4,5,5,6-Octafluoro-8-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate
CID 22088760
(2-Ethyl-1-bicyclo[2.2.1]heptanyl) 2,3,3-trifluoroprop-2-enoate
CID 22721490
[2-(2-Bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3-pentafluoropropan-2-yl] acetate
CID 57624127

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate?
The IUPAC name of [2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate (CID 21053474) is [2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate.
What is the SMILES notation for [2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate?
The canonical SMILES for [2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate is CC(=O)OC1(C(F)(F)F)CC2CCC1C2.
What is the InChIKey of [2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate?
The InChIKey is FUNZCMNHKXEZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O2/c1-6(14)15-9(10(11,12)13)5-7-2-3-8(9)4-7/h7-8H,2-5H2,1H3.
What are the key properties of [2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate?
[2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate has a molecular weight of 222.21 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] acetate is sourced from PubChem (CID 21053474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).