1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane

C10H14F6 — CID 59204144

IUPAC1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane
SMILESCC1(C(F)(F)C(F)(F)CC(F)F)CCCC1
InChIInChI=1S/C10H14F6/c1-8(4-2-3-5-8)10(15,16)9(13,14)6-7(11)12/h7H,2-6H2,1H3
InChIKeyCMIKZWVAMUKZAF-UHFFFAOYSA-N
MW248.21 g/mol
LogP4.49
Rot. Bonds4

About 1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane

1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane (PubChem CID 59204144) has the molecular formula C10H14F6 and a molecular weight of 248.21 g/mol. Its IUPAC name is 1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane.

Molecular Properties

Compound Name1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane
PubChem CID59204144
Molecular FormulaC10H14F6
Molecular Weight248.21 g/mol
Exact Mass248.10
IUPAC Name1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane
SMILESCC1(C(F)(F)C(F)(F)CC(F)F)CCCC1
InChIInChI=1S/C10H14F6/c1-8(4-2-3-5-8)10(15,16)9(13,14)6-7(11)12/h7H,2-6H2,1H3
InChIKeyCMIKZWVAMUKZAF-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 54.49
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-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane?
The IUPAC name of 1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane (CID 59204144) is 1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane.
What is the SMILES notation for 1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane?
The canonical SMILES for 1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane is CC1(C(F)(F)C(F)(F)CC(F)F)CCCC1.
What is the InChIKey of 1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane?
The InChIKey is CMIKZWVAMUKZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6/c1-8(4-2-3-5-8)10(15,16)9(13,14)6-7(11)12/h7H,2-6H2,1H3.
What are the key properties of 1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane?
1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane has a molecular weight of 248.21 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,4,4-hexafluorobutyl)-1-methylcyclopentane is sourced from PubChem (CID 59204144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).