(2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane

C8H11F3 — CID 154974176

IUPAC(2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane
SMILESC[C@@H]1C2(C)CC1(C(F)(F)F)C2
InChIInChI=1S/C8H11F3/c1-5-6(2)3-7(5,4-6)8(9,10)11/h5H,3-4H2,1-2H3/t5-,6?,7?/m1/s1
InChIKeyFHIQOJJGJLEABX-GRQBKTHUSA-N
MW164.17 g/mol
LogP2.98
Rot. Bonds

About (2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane

(2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane (PubChem CID 154974176) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is (2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name(2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane
PubChem CID154974176
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name(2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane
SMILESC[C@@H]1C2(C)CC1(C(F)(F)F)C2
InChIInChI=1S/C8H11F3/c1-5-6(2)3-7(5,4-6)8(9,10)11/h5H,3-4H2,1-2H3/t5-,6?,7?/m1/s1
InChIKeyFHIQOJJGJLEABX-GRQBKTHUSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane?
The IUPAC name of (2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane (CID 154974176) is (2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for (2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane?
The canonical SMILES for (2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane is C[C@@H]1C2(C)CC1(C(F)(F)F)C2.
What is the InChIKey of (2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane?
The InChIKey is FHIQOJJGJLEABX-GRQBKTHUSA-N. The full InChI is InChI=1S/C8H11F3/c1-5-6(2)3-7(5,4-6)8(9,10)11/h5H,3-4H2,1-2H3/t5-,6?,7?/m1/s1.
What are the key properties of (2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane?
(2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane has a molecular weight of 164.17 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 154974176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).