4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane

C10H10F10 — CID 59431492

IUPAC4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane
SMILESCC(C)C(F)(F)C1C(F)(F)CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H10F10/c1-4(2)8(15,16)5-6(11,12)3-7(13,14)10(19,20)9(5,17)18/h4-5H,3H2,1-2H3
InChIKeyMRINOZKNCHGQCS-UHFFFAOYSA-N
MW320.17 g/mol
LogP4.84
Rot. Bonds2

About 4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane

4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane (PubChem CID 59431492) has the molecular formula C10H10F10 and a molecular weight of 320.17 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane
PubChem CID59431492
Molecular FormulaC10H10F10
Molecular Weight320.17 g/mol
Exact Mass320.06
IUPAC Name4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane
SMILESCC(C)C(F)(F)C1C(F)(F)CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H10F10/c1-4(2)8(15,16)5-6(11,12)3-7(13,14)10(19,20)9(5,17)18/h4-5H,3H2,1-2H3
InChIKeyMRINOZKNCHGQCS-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 54.84
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 4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane?
The IUPAC name of 4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane (CID 59431492) is 4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane.
What is the SMILES notation for 4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane?
The canonical SMILES for 4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane is CC(C)C(F)(F)C1C(F)(F)CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane?
The InChIKey is MRINOZKNCHGQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F10/c1-4(2)8(15,16)5-6(11,12)3-7(13,14)10(19,20)9(5,17)18/h4-5H,3H2,1-2H3.
What are the key properties of 4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane?
4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane has a molecular weight of 320.17 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methylpropyl)-1,1,2,2,3,3,5,5-octafluorocyclohexane is sourced from PubChem (CID 59431492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).