3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane

C11H17F5 — CID 58676217

IUPAC3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane
SMILESCCC1CC(C)(C)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C11H17F5/c1-5-7-6-8(2,3)11(15,16)10(7,14)9(4,12)13/h7H,5-6H2,1-4H3
InChIKeyLPEVAMCEANYRDB-UHFFFAOYSA-N
MW244.25 g/mol
LogP4.44
Rot. Bonds2

About 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane

3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane (PubChem CID 58676217) has the molecular formula C11H17F5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane
PubChem CID58676217
Molecular FormulaC11H17F5
Molecular Weight244.25 g/mol
Exact Mass244.13
IUPAC Name3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane
SMILESCCC1CC(C)(C)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C11H17F5/c1-5-7-6-8(2,3)11(15,16)10(7,14)9(4,12)13/h7H,5-6H2,1-4H3
InChIKeyLPEVAMCEANYRDB-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane?
The IUPAC name of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane (CID 58676217) is 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane?
The canonical SMILES for 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane is CCC1CC(C)(C)C(F)(F)C1(F)C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane?
The InChIKey is LPEVAMCEANYRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F5/c1-5-7-6-8(2,3)11(15,16)10(7,14)9(4,12)13/h7H,5-6H2,1-4H3.
What are the key properties of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane?
3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane has a molecular weight of 244.25 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1,1-dimethylcyclopentane is sourced from PubChem (CID 58676217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).