1,1,2,2,3,3-hexafluoro-4-methylcyclopentane

C6H6F6 — CID 10583892

IUPAC1,1,2,2,3,3-hexafluoro-4-methylcyclopentane
SMILESCC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H6F6/c1-3-2-4(7,8)6(11,12)5(3,9)10/h3H,2H2,1H3
InChIKeyNRQONSMJKNJKLL-UHFFFAOYSA-N
MW192.10 g/mol
LogP2.93
Rot. Bonds

About 1,1,2,2,3,3-hexafluoro-4-methylcyclopentane

1,1,2,2,3,3-hexafluoro-4-methylcyclopentane (PubChem CID 10583892) has the molecular formula C6H6F6 and a molecular weight of 192.10 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4-methylcyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4-methylcyclopentane
PubChem CID10583892
Molecular FormulaC6H6F6
Molecular Weight192.10 g/mol
Exact Mass192.04
IUPAC Name1,1,2,2,3,3-hexafluoro-4-methylcyclopentane
SMILESCC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H6F6/c1-3-2-4(7,8)6(11,12)5(3,9)10/h3H,2H2,1H3
InChIKeyNRQONSMJKNJKLL-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-4-methylcyclopentane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4-methylcyclopentane (CID 10583892) is 1,1,2,2,3,3-hexafluoro-4-methylcyclopentane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4-methylcyclopentane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4-methylcyclopentane is CC1CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4-methylcyclopentane?
The InChIKey is NRQONSMJKNJKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6/c1-3-2-4(7,8)6(11,12)5(3,9)10/h3H,2H2,1H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4-methylcyclopentane?
1,1,2,2,3,3-hexafluoro-4-methylcyclopentane has a molecular weight of 192.10 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-4-methylcyclopentane is sourced from PubChem (CID 10583892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).