2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane

C10H17F3O — CID 148832596

IUPAC2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane
SMILESCC(C)(OCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H17F3O/c1-9(2,8-5-3-4-6-8)14-7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyOTYZDACCXCZDOF-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.53
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane

2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane (PubChem CID 148832596) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane
PubChem CID148832596
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane
SMILESCC(C)(OCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H17F3O/c1-9(2,8-5-3-4-6-8)14-7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyOTYZDACCXCZDOF-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane (CID 148832596) is 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane is CC(C)(OCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane?
The InChIKey is OTYZDACCXCZDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-9(2,8-5-3-4-6-8)14-7-10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane?
2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane has a molecular weight of 210.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclopentane is sourced from PubChem (CID 148832596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).