1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane

C9H15F5 — CID 19768885

IUPAC1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane
SMILESCC(C)C(C(C)C)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H15F5/c1-5(2)7(6(3)4)8(10,11)9(12,13)14/h5-7H,1-4H3
InChIKeyZISLMWAAAPWRGU-UHFFFAOYSA-N
MW218.21 g/mol
LogP4.11
Rot. Bonds3

About 1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane

1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane (PubChem CID 19768885) has the molecular formula C9H15F5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane
PubChem CID19768885
Molecular FormulaC9H15F5
Molecular Weight218.21 g/mol
Exact Mass218.11
IUPAC Name1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane
SMILESCC(C)C(C(C)C)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H15F5/c1-5(2)7(6(3)4)8(10,11)9(12,13)14/h5-7H,1-4H3
InChIKeyZISLMWAAAPWRGU-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 54.11
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 1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane?
The IUPAC name of 1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane (CID 19768885) is 1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane is CC(C)C(C(C)C)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane?
The InChIKey is ZISLMWAAAPWRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F5/c1-5(2)7(6(3)4)8(10,11)9(12,13)14/h5-7H,1-4H3.
What are the key properties of 1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane?
1,1,1,2,2-pentafluoro-4-methyl-3-propan-2-ylpentane has a molecular weight of 218.21 g/mol, XLogP of 4.11, 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-pentafluoro-4-methyl-3-propan-2-ylpentane is sourced from PubChem (CID 19768885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).