1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene

C10H9F9 — CID 11370031

IUPAC1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CCCCC1
InChIInChI=1S/C10H9F9/c11-7(12,6-4-2-1-3-5-6)8(13,14)9(15,16)10(17,18)19/h4H,1-3,5H2
InChIKeyQFVFTHFLWPPFJZ-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.95
Rot. Bonds3

About 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene

1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene (PubChem CID 11370031) has the molecular formula C10H9F9 and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene
PubChem CID11370031
Molecular FormulaC10H9F9
Molecular Weight300.16 g/mol
Exact Mass300.06
IUPAC Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CCCCC1
InChIInChI=1S/C10H9F9/c11-7(12,6-4-2-1-3-5-6)8(13,14)9(15,16)10(17,18)19/h4H,1-3,5H2
InChIKeyQFVFTHFLWPPFJZ-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene (CID 11370031) is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CCCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene?
The InChIKey is QFVFTHFLWPPFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F9/c11-7(12,6-4-2-1-3-5-6)8(13,14)9(15,16)10(17,18)19/h4H,1-3,5H2.
What are the key properties of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene?
1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene has a molecular weight of 300.16 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexene is sourced from PubChem (CID 11370031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).