1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane

C8H10F6O — CID 19911060

IUPAC1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane
SMILESCC(C)OC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H10F6O/c1-4(2)15-5-3-6(9,10)8(13,14)7(5,11)12/h4-5H,3H2,1-2H3
InChIKeyDLQDUBKMSPMVAQ-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.09
Rot. Bonds2

About 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane

1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane (PubChem CID 19911060) has the molecular formula C8H10F6O and a molecular weight of 236.16 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane
PubChem CID19911060
Molecular FormulaC8H10F6O
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Name1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane
SMILESCC(C)OC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H10F6O/c1-4(2)15-5-3-6(9,10)8(13,14)7(5,11)12/h4-5H,3H2,1-2H3
InChIKeyDLQDUBKMSPMVAQ-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane (CID 19911060) is 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane is CC(C)OC1CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane?
The InChIKey is DLQDUBKMSPMVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O/c1-4(2)15-5-3-6(9,10)8(13,14)7(5,11)12/h4-5H,3H2,1-2H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane?
1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane has a molecular weight of 236.16 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane is sourced from PubChem (CID 19911060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).