1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane

C10H11F9 — CID 11822771

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C10H11F9/c11-7(12,6-4-2-1-3-5-6)8(13,14)9(15,16)10(17,18)19/h6H,1-5H2
InChIKeyNNZVQGJXTKZNFP-UHFFFAOYSA-N
MW302.18 g/mol
LogP5.03
Rot. Bonds3

About 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane

1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane (PubChem CID 11822771) has the molecular formula C10H11F9 and a molecular weight of 302.18 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane
PubChem CID11822771
Molecular FormulaC10H11F9
Molecular Weight302.18 g/mol
Exact Mass302.07
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C10H11F9/c11-7(12,6-4-2-1-3-5-6)8(13,14)9(15,16)10(17,18)19/h6H,1-5H2
InChIKeyNNZVQGJXTKZNFP-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.18
LogP ≤ 55.03
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 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane (CID 11822771) is 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCC1.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane?
The InChIKey is NNZVQGJXTKZNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F9/c11-7(12,6-4-2-1-3-5-6)8(13,14)9(15,16)10(17,18)19/h6H,1-5H2.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane?
1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane has a molecular weight of 302.18 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclohexane is sourced from PubChem (CID 11822771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).