4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane

C17H26F6 — CID 89153540

IUPAC4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane
SMILESCC1CC(C(C2CC(C)C(C)C2)(C(F)(F)F)C(F)(F)F)CC1C
InChIInChI=1S/C17H26F6/c1-9-5-13(6-10(9)2)15(16(18,19)20,17(21,22)23)14-7-11(3)12(4)8-14/h9-14H,5-8H2,1-4H3
InChIKeyJSCMUDIUNANCIZ-UHFFFAOYSA-N
MW344.38 g/mol
LogP6.46
Rot. Bonds2

About 4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane

4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane (PubChem CID 89153540) has the molecular formula C17H26F6 and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane.

Molecular Properties

Compound Name4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane
PubChem CID89153540
Molecular FormulaC17H26F6
Molecular Weight344.38 g/mol
Exact Mass344.19
IUPAC Name4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane
SMILESCC1CC(C(C2CC(C)C(C)C2)(C(F)(F)F)C(F)(F)F)CC1C
InChIInChI=1S/C17H26F6/c1-9-5-13(6-10(9)2)15(16(18,19)20,17(21,22)23)14-7-11(3)12(4)8-14/h9-14H,5-8H2,1-4H3
InChIKeyJSCMUDIUNANCIZ-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.38
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane?
The IUPAC name of 4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane (CID 89153540) is 4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane.
What is the SMILES notation for 4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane?
The canonical SMILES for 4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane is CC1CC(C(C2CC(C)C(C)C2)(C(F)(F)F)C(F)(F)F)CC1C.
What is the InChIKey of 4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane?
The InChIKey is JSCMUDIUNANCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F6/c1-9-5-13(6-10(9)2)15(16(18,19)20,17(21,22)23)14-7-11(3)12(4)8-14/h9-14H,5-8H2,1-4H3.
What are the key properties of 4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane?
4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane has a molecular weight of 344.38 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylcyclopentyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylcyclopentane is sourced from PubChem (CID 89153540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).