1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane

C11H17F3 — CID 146382829

IUPAC1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane
SMILESCCC12CCC(C(F)(F)F)(CC1)CC2
InChIInChI=1S/C11H17F3/c1-2-9-3-6-10(7-4-9,8-5-9)11(12,13)14/h2-8H2,1H3
InChIKeyLGYVTCLKWBGGMV-UHFFFAOYSA-N
MW206.25 g/mol
LogP4.30
Rot. Bonds1

About 1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane

1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane (PubChem CID 146382829) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane
PubChem CID146382829
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane
SMILESCCC12CCC(C(F)(F)F)(CC1)CC2
InChIInChI=1S/C11H17F3/c1-2-9-3-6-10(7-4-9,8-5-9)11(12,13)14/h2-8H2,1H3
InChIKeyLGYVTCLKWBGGMV-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane?
The IUPAC name of 1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane (CID 146382829) is 1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane?
The canonical SMILES for 1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane is CCC12CCC(C(F)(F)F)(CC1)CC2.
What is the InChIKey of 1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane?
The InChIKey is LGYVTCLKWBGGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3/c1-2-9-3-6-10(7-4-9,8-5-9)11(12,13)14/h2-8H2,1H3.
What are the key properties of 1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane?
1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane has a molecular weight of 206.25 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(trifluoromethyl)bicyclo[2.2.2]octane is sourced from PubChem (CID 146382829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).