potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane

C11H15F6K — CID 134993603

IUPACpotassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane
SMILESFC(F)(F)CC[C-]1CCC(CCC(F)(F)F)C1.[K+]
InChIInChI=1S/C11H15F6.K/c12-10(13,14)5-3-8-1-2-9(7-8)4-6-11(15,16)17;/h8H,1-7H2;/q-1;+1
InChIKeyJZFOSHQNSPIMRF-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.05
Rot. Bonds4

About potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane

potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane (PubChem CID 134993603) has the molecular formula C11H15F6K and a molecular weight of 300.33 g/mol. Its IUPAC name is potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane.

Molecular Properties

Compound Namepotassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane
PubChem CID134993603
Molecular FormulaC11H15F6K
Molecular Weight300.33 g/mol
Exact Mass300.07
IUPAC Namepotassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane
SMILESFC(F)(F)CC[C-]1CCC(CCC(F)(F)F)C1.[K+]
InChIInChI=1S/C11H15F6.K/c12-10(13,14)5-3-8-1-2-9(7-8)4-6-11(15,16)17;/h8H,1-7H2;/q-1;+1
InChIKeyJZFOSHQNSPIMRF-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane?
The IUPAC name of potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane (CID 134993603) is potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane.
What is the SMILES notation for potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane?
The canonical SMILES for potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane is FC(F)(F)CC[C-]1CCC(CCC(F)(F)F)C1.[K+].
What is the InChIKey of potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane?
The InChIKey is JZFOSHQNSPIMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6.K/c12-10(13,14)5-3-8-1-2-9(7-8)4-6-11(15,16)17;/h8H,1-7H2;/q-1;+1.
What are the key properties of potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane?
potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane has a molecular weight of 300.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,3-bis(3,3,3-trifluoropropyl)cyclopentane is sourced from PubChem (CID 134993603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).