1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane

C9H9F9 — CID 58436017

IUPAC1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane
SMILESCCCC1C(F)(F)C(F)(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F9/c1-2-3-4-6(11,12)8(15,16)5(10)9(17,18)7(4,13)14/h4-5H,2-3H2,1H3
InChIKeyRUIBIZYFJQUQGL-UHFFFAOYSA-N
MW288.15 g/mol
LogP4.30
Rot. Bonds2

About 1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane

1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane (PubChem CID 58436017) has the molecular formula C9H9F9 and a molecular weight of 288.15 g/mol. Its IUPAC name is 1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane
PubChem CID58436017
Molecular FormulaC9H9F9
Molecular Weight288.15 g/mol
Exact Mass288.06
IUPAC Name1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane
SMILESCCCC1C(F)(F)C(F)(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F9/c1-2-3-4-6(11,12)8(15,16)5(10)9(17,18)7(4,13)14/h4-5H,2-3H2,1H3
InChIKeyRUIBIZYFJQUQGL-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
CID 59875976
1,1,2,2,3,3,4,5,5,6-decafluoro-4-methylcyclohexane
CID 58854942
1,1-dibromo-2-propylcyclopropane
CID 13198577
1-butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane
CID 58114502
4,4-difluoro-2-propyloxolane
CID 170980405
2,2-difluoro-3-propylcyclopropane-1-carboxylic acid
CID 130676135
1-ethyl-3-fluoro-1,2,2-trimethylcyclopropane
CID 121273952
ethane;propane;propylcyclopropane
CID 145406182
cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane
CID 134889174
3,3-difluoro-1-propan-2-yl-4-propylpiperidine
CID 162618217
(2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine
CID 131114072
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane?
The IUPAC name of 1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane (CID 58436017) is 1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane.
What is the SMILES notation for 1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane?
The canonical SMILES for 1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane is CCCC1C(F)(F)C(F)(F)C(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane?
The InChIKey is RUIBIZYFJQUQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9/c1-2-3-4-6(11,12)8(15,16)5(10)9(17,18)7(4,13)14/h4-5H,2-3H2,1H3.
What are the key properties of 1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane?
1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane has a molecular weight of 288.15 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,4,5,5-nonafluoro-6-propylcyclohexane is sourced from PubChem (CID 58436017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).