1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane

C10H12F8 — CID 59211701

IUPAC1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane
SMILESCC1(C(F)(F)C(F)(F)C(F)(F)C(F)F)CCCC1
InChIInChI=1S/C10H12F8/c1-7(4-2-3-5-7)9(15,16)10(17,18)8(13,14)6(11)12/h6H,2-5H2,1H3
InChIKeyDVYASWXEPHNLDS-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.74
Rot. Bonds4

About 1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane

1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane (PubChem CID 59211701) has the molecular formula C10H12F8 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane.

Molecular Properties

Compound Name1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane
PubChem CID59211701
Molecular FormulaC10H12F8
Molecular Weight284.19 g/mol
Exact Mass284.08
IUPAC Name1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane
SMILESCC1(C(F)(F)C(F)(F)C(F)(F)C(F)F)CCCC1
InChIInChI=1S/C10H12F8/c1-7(4-2-3-5-7)9(15,16)10(17,18)8(13,14)6(11)12/h6H,2-5H2,1H3
InChIKeyDVYASWXEPHNLDS-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.74
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-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane?
The IUPAC name of 1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane (CID 59211701) is 1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane.
What is the SMILES notation for 1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane?
The canonical SMILES for 1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane is CC1(C(F)(F)C(F)(F)C(F)(F)C(F)F)CCCC1.
What is the InChIKey of 1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane?
The InChIKey is DVYASWXEPHNLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8/c1-7(4-2-3-5-7)9(15,16)10(17,18)8(13,14)6(11)12/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane?
1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane has a molecular weight of 284.19 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1,1,2,2,3,3,4,4-octafluorobutyl)cyclopentane is sourced from PubChem (CID 59211701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).