4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane

C17H17F15 — CID 89153555

IUPAC4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane
SMILESCC1CC(C(C2CC(C(F)(F)F)C(C(F)(F)F)C2)(C(F)(F)F)C(F)(F)F)CC1C(F)(F)F
InChIInChI=1S/C17H17F15/c1-6-2-7(3-9(6)13(18,19)20)12(16(27,28)29,17(30,31)32)8-4-10(14(21,22)23)11(5-8)15(24,25)26/h6-11H,2-5H2,1H3
InChIKeyHZOILCUXYCASPM-UHFFFAOYSA-N
MW506.29 g/mol
LogP8.09
Rot. Bonds2

About 4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane

4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane (PubChem CID 89153555) has the molecular formula C17H17F15 and a molecular weight of 506.29 g/mol. Its IUPAC name is 4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane
PubChem CID89153555
Molecular FormulaC17H17F15
Molecular Weight506.29 g/mol
Exact Mass506.11
IUPAC Name4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane
SMILESCC1CC(C(C2CC(C(F)(F)F)C(C(F)(F)F)C2)(C(F)(F)F)C(F)(F)F)CC1C(F)(F)F
InChIInChI=1S/C17H17F15/c1-6-2-7(3-9(6)13(18,19)20)12(16(27,28)29,17(30,31)32)8-4-10(14(21,22)23)11(5-8)15(24,25)26/h6-11H,2-5H2,1H3
InChIKeyHZOILCUXYCASPM-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.29
LogP ≤ 58.09
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-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane?
The IUPAC name of 4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane (CID 89153555) is 4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane?
The canonical SMILES for 4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane is CC1CC(C(C2CC(C(F)(F)F)C(C(F)(F)F)C2)(C(F)(F)F)C(F)(F)F)CC1C(F)(F)F.
What is the InChIKey of 4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane?
The InChIKey is HZOILCUXYCASPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F15/c1-6-2-7(3-9(6)13(18,19)20)12(16(27,28)29,17(30,31)32)8-4-10(14(21,22)23)11(5-8)15(24,25)26/h6-11H,2-5H2,1H3.
What are the key properties of 4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane?
4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane has a molecular weight of 506.29 g/mol, XLogP of 8.09, 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-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 89153555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).